ANSYS CFX-Solver Theory Guide
ANSYS CFX-Solver Theory Guide
ANSYS CFX-Solver Theory Guide
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Chapter 1: Basic Solver Capability Theory
This chapter describes the mathematical equations used to model fluid flow, heat, and mass transfer
in ANSYS CFX for single-phase, single and multi-component flow without combustion or radiation. It is
designed to be a reference for those users who desire a more detailed understanding of the mathem-
atics underpinning the CFX-Solver, and is therefore not essential reading. It is not an exhaustive text
on CFD mathematics; a reference section is provided should you want to follow up this chapter in more
detail.
Descriptions of the theory for other physical models are provided in:
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Basic Solver Capability Theory
Dimensions (p. 2)
1.1.1. Dimensions
Throughout this manual, dimensions are given in terms of the fundamental magnitudes of length ( ),
mass ( ), time ( ), temperature ( ) and chemical amount ( ).
More information on the notation used in the multiphase and multicomponent chapters is available:
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Documentation Conventions
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Basic Solver Capability Theory
Reynolds number,
Magnetic Reynolds Number:
the ratio between the
magnetic advection and
magnetic diffusion.
location vector
volume fraction of phase
energy source
momentum source
mass source
turbulent Schmidt number,
Stanton number
mass flow rate from phase
to phase .
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electrical conductivity
turbulence model constant
for the equation
- turbulence model
constant
- turbulence model
constant
Reynolds Stress model
constant
RNG - turbulence model
constant
RNG - turbulence model
constant
shear stress or sub-grid scale
stress
1.1.2.1. Subscripts
Quantities that appear with subscripts , , refer to that quantity for component , , in a mul-
ticomponent fluid.
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Quantities that appear with subscripts , , refer to that quantity for phase , , in a multiphase
flow.
Such quantities are used only in the chapters describing multicomponent and multiphase flows.
(1.1)
(1.2)
When certain turbulence models are used, (for example - , - , and Reynolds Stress), the modified pressure
includes an additional term due to the turbulent normal stress. For details, see Equation 2.14 (p. 80).
When buoyancy is activated, the modified pressure excludes the hydrostatic pressure field. For details, see
Buoyancy and Pressure.
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Basic Solver Capability Theory
When you use the thermal energy model, the CFX-Solver directly computes the static enthalpy. General
changes in enthalpy are also used by the solver to calculate thermodynamic properties such as temper-
ature. To compute these quantities, you need to know how enthalpy varies with changes in both tem-
perature and pressure. These changes are given by the general differential relationship Equa-
tion 1.7 (p. 8):
(1.7)
(1.8)
where is specific heat at constant pressure and is density. For most materials the first term always
has an effect on enthalpy, and, in some cases, the second term drops out or is not included. For example,
the second term is zero for materials that use the Ideal Gas equation of state or materials in a solid
thermodynamic state. In addition, the second term is also dropped for liquids or gases with constant
specific heat when you run the thermal energy equation model.
(1.9)
To successfully integrate Equation 1.9 (p. 8), the CFX-Solver must be provided thermodynamically
consistent values of the equation of state, , and specific heat capacity, . Thermodynamically consist-
ent means that the coefficients of the differential terms of Equation 1.7 (p. 8) must satisfy the exact
differential property that:
(1.10)
(1.11)
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To satisfy in Equation 1.11 (p. 8), variables of the form '<Material Name>.Property Residual' are
computed and should resolve to zero.
The equation of state derivative within the second integral of Equation 1.9 (p. 8) is numerically evaluated
from the using a two point central difference formula. In addition, the CFX-Solver uses an adaptive
number of interpolation points to construct the property table, and bases the number of points on an
absolute error tolerance estimated using the enthalpy and entropy derivatives.
where is the flow velocity. When you use the total energy model the CFX-Solver directly computes
total enthalpy, and static enthalpy is derived from this expression. In case of turbulence models for
which the kinetic turbulent energy is available (such as k-epsilon, k-omega, SST, and so on), is in-
cluded in the total enthalpy. In rotating frames of reference, the total enthalpy includes the relative
frame kinetic energy. For details, see Rotating Frame Quantities (p. 16).
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Basic Solver Capability Theory
The static temperature is calculated using static enthalpy and the constitutive relationship for the ma-
terial under consideration. The constitutive relation simply tells us how enthalpy varies with changes
in both temperature and pressure.
which is derived from the full differential form for changes in static enthalpy. The default reference
state in the CFX-Solver is and .
(1.14)
When the solver calculates static enthalpy, either directly or from total enthalpy, you can back static
temperature out of this relationship. When varies with temperature, the CFX-Solver builds an enthalpy
table and static temperature is backed out by inverting the table.
can be provided as a table using, for example, an .rgp file. If a table is not pre-supplied, and
the equation of state and specific heat are given by CEL expressions or CEL user functions, the CFX-
Solver will calculate by integrating the full differential definition of enthalpy change.
Given the knowledge of and that the CFX-Solver calculates both static enthalpy and static
pressure from the flow solution, you can calculate static temperature by inverting the enthalpy table:
(1.15)
In this case, you know , from solving the flow and you calculate by table inversion.
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and substituting expressions for Static Enthalpy (p. 8) and Total Pressure (p. 14) for an incompressible
fluid:
(1.17)
(1.18)
which, if one substitutes the relation between static and total enthalpy, yields:
(1.21)
If the turbulence model is employed, turbulence kinetic energy, , is added to the total enthalpy,
giving the modified total temperature for constant :
(1.22)
(1.23)
In this case you know , and you want to calculate , but you do not know . So, before calcu-
lating the total temperature, you need to compute total pressure. For details, see Total Pressure (p. 14).
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1.1.3.11. Entropy
The concept of entropy arises from the second law of thermodynamics:
(1.25)
Depending on the equation of state and the constitutive relationship for the material, you can arrive
at various forms for calculating the changes in entropy as a function of temperature and pressure.
and when this is substituted into the second law gives the following expression for changes in entropy
as a function of temperature only:
(1.28)
(1.29)
(1.30)
which for general functions for the solver computes an entropy table as a function of both temper-
ature and pressure. In the simplified case when is a constant, then an analytic formula is used:
(1.31)
This is the most general case handled by the CFX-Solver. The entropy function, , is calculated by
integrating the full differential form for entropy as a function of temperature and pressure. Instead of
repetitively performing this integration the CFX-Solver computes a table of values at a number of
temperature and pressure points. The points are chosen such that the approximation error for the entropy
function is minimized.
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The error is estimated using derivatives of entropy with respect to temperature and pressure. Expressions
for the derivatives are found by substituting the formula for general enthalpy changes into the second
law to get the following expression for changes in entropy with temperature and pressure:
(1.32)
which when compared with the following differential form for changes in entropy:
(1.33)
gives that:
(1.34)
(1.35)
The derivative of entropy with respect to temperature is exactly evaluated, while the derivative with
respect to pressure must be computed by numerically differentiating the equation of state. Note that
when properties are specified as a function of temperature and pressure using CEL expressions the
differential terms in Equation 1.32 (p. 13) must also satisfy the exact differential relationship:
(1.36)
or,
(1.37)
Also, see the previous section on Static Enthalpy (p. 8) for more details.
Unless an externally provided table is supplied, an entropy table is built by using the and functions
supplied by you and integrating the general differential form:
(1.38)
To calculate total pressure, you also need to evaluate entropy as a function of enthalpy and pressure,
rather than temperature and pressure. For details, see Total Pressure (p. 14).
The recipe to do this is essentially the same as for the temperature and pressure recipe. First, you start
with differential form for :
(1.39)
and comparing this with a slightly rearranged form of the second law:
(1.40)
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Basic Solver Capability Theory
(1.41)
(1.42)
In this case, the entropy derivatives with respect to and can be evaluated from the constitutive re-
lationship (getting from and by table inversion) and the equation of state . Points
in the table are evaluated by performing the following integration:
(1.43)
over a range of and , which are determined to minimize the integration error.
The terms Pressure and Total Pressure are absolute quantities and must be used to derive the Total
Pressure when using an equation of state (compressible) formulation (particularly for Equa-
tion 1.48 (p. 15)).
The setting of the Total Pressure Option, described in Compressibility Control in the CFX-Pre User's
Guide, determines which equation is used to derive the total pressure.
The left hand side of this expression is determined by the constitutive relation and the right hand side
by the equation of state. For an ideal gas, the constitutive relation and equation of state are:
(1.46)
(1.47)
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which, when substituted into the second law and assuming no entropy variations, gives:
(1.48)
where and are the static and total temperatures respectively (calculation of these quantities
was described in two previous sections, Static Temperature (p. 9) and Total Temperature (p. 10)). If
is a constant, then the integral can be exactly evaluated, but if varies with temperature, then the
integral is numerically evaluated using quadrature. For details, see:
Given that you know (from integrating the differential form for enthalpy) and , you can
compute two entropy functions and . There are two options for generating these functions:
If and are provided by a .rgp file then is evaluated by interpolation from and
tables.
If CEL expressions have been given for and only, then , and are all evaluated by
integrating their differential forms.
Once you have the table, calculated as described in Entropy (p. 12), computing total pressure
for a single pure component is a relatively trivial procedure:
2. Calculate from
3. Calculate entropy
(1.49)
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This tensor has three scalar invariants, one of which is often simply called the shear strain rate:
(1.50)
(1.51)
The viscosity of non-Newtonian fluids is often expressed as a function of this scalar shear strain rate.
where is the angular velocity, is the local radius vector, and is velocity in the stationary frame
of reference.
where is static pressure. The stationary frame total pressure is defined as:
(1.54)
(1.56)
(1.57)
where is the static enthalpy. In a rotating frame of reference, the CFX-Solver solves for the total
enthalpy, , which includes the relative kinetic energy.
Important
Rothalpy is not a positive definite quantity. If the rotation velocity is large, then the last
term can be significantly larger than the static enthalpy plus the rotating frame kinetic energy.
In this case, it is possible that total temperature and rotating total pressure are undefined
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and will be clipped at internal table limits or built in lower bounds. However, this is only a
problem for high angular velocity rotating systems.
If you again assume an ideal gas equation of state with variable specific heat capacity you can compute
relative total temperature, total temperature and stationary frame total temperature using:
(1.58)
and:
(1.59)
and:
(1.60)
where all the total temperature quantities are obtained by inverting the enthalpy table. If is constant,
then these values are obtained directly from these definitions:
(1.61)
(1.62)
(1.63)
At this point, given , , , and you can compute relative total pressure, total
pressure or stationary frame total pressure using the relationship given in the section describing total
pressure. For details, see Total Pressure (p. 14).
The names of the various total enthalpies, temperatures, and pressures when visualizing results in CFD-
Post or for use in CEL expressions is as follows.
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The Mach Number and stationary frame Mach numbers are defined as:
(1.64)
(1.65)
where is the fluid speed, is the timestep and is the mesh size. The Courant number calculated
in ANSYS CFX is a multidimensional generalization of this expression where the velocity and length
scale are based on the mass flow into the control volume and the dimension of the control volume.
For explicit CFD methods, the timestep must be chosen such that the Courant number is sufficiently
small. The details depend on the particular scheme, but it is usually of order unity. As an implicit code,
ANSYS CFX does not require the Courant number to be small for stability. However, for some transient
calculations (for example, LES), one may need the Courant number to be small in order to accurately
resolve transient details.
For certain compressible flow calculations, the acoustic Courant number is also calculated. For a one-
dimensional grid, the acoustic Courant number is defined as:
(1.67)
(1.68)
(1.69)
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1. The timestep may be chosen adaptively based on a Courant number condition (for example, to reach
RMS or Courant number of 5). The acoustic Courant number is used for compressible flow calculations
having the expert parameter setting compressible timestepping = t.
2. For transient runs using the Automatic timestep initialization option, the Courant number is used to
calculate the blend between the previous timestep and extrapolation options. The acoustic Courant
number is used for compressible flow calculations.
3. For transient runs, the maximum and RMS Courant numbers are written to the output file every timestep.
(1.70)
(1.71)
(1.72)
(1.73)
(1.74)
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Basic Solver Capability Theory
By using specific tensor notation, the equations relating to each dimension can be combined into a
single equation. Thus, in the specific tensor notation:
(1.75)
(1.76)
then:
(1.77)
(1.78)
(1.79)
where the summation convention is followed; that is, the index is summed over the three components.
Note the convention that the derivatives arising from the divergence operator are derivatives with respect
to the same coordinate as the first listed vector. That is, the quantity is represented by:
(1.81)
and not:
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Governing Equations
(1.82)
If you are new to CFD, review Computational Fluid Dynamics in the CFX Introduction.
A list of recommended books on CFD and related subjects is available in Further Background Reading
in the CFX Introduction.
For all the following equations, static (thermodynamic) quantities are given unless otherwise stated.
The instantaneous equations of mass, momentum and energy conservation can be written as follows
in a stationary frame:
The term represents the work due to viscous stresses and is called the viscous work term.
This models the internal heating by viscosity in the fluid, and is negligible in most flows.
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The term represents the work due to external momentum sources and is currently neglected.
Note
A case that involves MFR (multiple frames of reference) and the Total Energy equation should
have the Incl. Viscous Work Term option selected. If the option is not selected, the setup
is inconsistent with the MFR interface implementation, and CFX-Pre and CFX-Solver issue a
warning.
The mechanical energy equation is derived by taking the dot product of with the momentum equation
(Equation 1.84 (p. 21)):
(1.89)
Subtracting this equation from the total energy equation (Equation 1.86 (p. 21)) yields the thermal energy
equation:
(1.90)
The term is always positive and is called the viscous dissipation. This models the internal heating
by viscosity in the fluid, and is negligible in most flows.
With further assumptions discussed in a moment, we obtain the thermal energy equation:
(1.91)
This equation can be derived from Equation 1.90 (p. 22) with two different sets of assumptions:
(1.93)
which is equivalent to Equation 1.91 (p. 22) if we neglect and interpret as . This interpret-
ation is appropriate for liquids, where variable-density effects are negligible. Note that the principal
variable is still called 'Static Enthalpy' in CFD-Post, although it actually represents internal energy.
Note also that, for liquids that have variable specific heats (for example, set as a CEL expression or
using an RGP table or Redlich Kwong equation of state) the solver includes the contribution in
the enthalpy tables. This is inconsistent, because the variable is actually internal energy. For this
reason, the thermal energy equation should not be used in this situation, particularly for subcooled
liquids.
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Governing Equations
On the other hand if and are neglected in Equation 1.90 (p. 22) then Equation 1.91 (p. 22) follows
directly. This interpretation is appropriate for low Mach number flows of compressible gases.
The thermal energy equation, despite being a simplification, can be useful for both liquids and gases
in avoiding potential stability issues with the total energy formulation. For example, the thermal energy
equation is often preferred for transient liquid simulations. On the other hand, if proper acoustic beha-
vior is required (for example, predicting sound speed), or for high speed flow, then the total energy
equation is required.
Various special cases for particular material types are described below.
where is the molecular weight, is the absolute pressure, and is the universal gas constant.
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Note
It is not possible to couple particles with gases that use the 'real gas' equations of state.
This limitation is caused by the way the particle tracker stores and accesses material properties
for coupled gas components and particle components. For performance reasons, the particle
tracker uses its own material database--which is limited to either constant properties or
temperature-dependent properties (specific heats, enthalpy). The property database of the
particle tracker does not support pressure-dependent properties.
Four versions of cubic state equations are available: Standard Redlich Kwong, Aungier Redlich Kwong,
Soave Redlich Kwong, and Peng Robinson. The Redlich-Kwong equation of state was first published in
1949 [85] and is considered one of the most accurate two-parameter corresponding states equations
of state. More recently, Aungier (1995) [96] has modified the Redlich-Kwong equation of state so that
it provides much better accuracy near the critical point. The Aungier form of this equation of state is
the default cubic equation used by ANSYS CFX. The Peng Robinson [157]] and Soave Redlich Kwong
equation of state were developed to overcome the shortcomings of the Redlich Kwong equations to
accurately predict liquid properties and vapor-liquid equilibrium.
The Redlich Kwong variants of the cubic equations of state are written as:
(1.94)
The Standard Redlich Kwong model sets the parameter to zero, and the function to:
(1.95)
where is and
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Governing Equations
(1.96)
(1.97)
The Aungier form differs from the original by a non-zero parameter that is added to improve the
behavior of isotherms near the critical point, as well as setting the exponent differently. The parameter
in Equation 1.94 (p. 24) is given by:
(1.98)
and the standard Redlich Kwong exponent of is replaced by a general exponent . Optimum
values of depend on the pure substance. Aungier (1995) [96] presented values for twelve experimental
data sets to which he provided a best fit polynomial for the temperature exponent in terms of the
acentric factor, :
(1.99)
The Soave Redlich Kwong real gas model was originally published by Soave (1972). The model applies
to non-polar compounds and improves on the original Redlich Kwong model by generalizing the attrac-
tion term to depend on the acentric factor, which accounts for molecules being non-spherical, and ac-
counting for a range of vapor pressure data in the development of the temperature dependency of this
parameter.
The Soave Redlich Kwong equation is explicit in pressure, and given by:
(1.100)
where:
(1.101)
(1.102)
where:
(1.103)
The Peng Robinson model also gives pressure as a function of temperature and volume:
(1.105)
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Basic Solver Capability Theory
where:
(1.106)
(1.107)
where:
(1.108)
In order to provide a full description of the gas properties, the flow solver must also calculate enthalpy
and entropy. These are evaluated using slight variations on the general relationships for enthalpy and
entropy that were presented in the previous section on variable definitions. The variations depend on
the zero pressure, ideal gas, specific heat capacity and derivatives of the equation of state. The zero
pressure specific heat capacity must be supplied to ANSYS CFX while the derivatives are analytically
evaluated from Equation 1.94 (p. 24) and Equation 1.105 (p. 25).
Internal energy is calculated as a function of temperature and volume ( , ) by integrating from the
reference state ( , ) along path 'amnc' (see diagram below) to the required state ( , ) using the
following differential relationship:
(1.110)
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Governing Equations
First the energy change is calculated at constant temperature from the reference volume to infinite
volume (ideal gas state), then the energy change is evaluated at constant volume using the ideal gas
. The final integration, also at constant temperature, subtracts the energy change from infinite volume
to the required volume. In integral form, the energy change along this path is:
(1.111)
Once the internal energy is known, then enthalpy is evaluated from internal energy:
(1.112)
where is the zero pressure ideal gas specific heat capacity. By default, ANSYS CFX uses a 4th order
polynomial for this and requires that coefficients of that polynomial are available. These coefficients
are tabulated in various references including Poling et al. [84].
In addition, a suitable reference state must be selected to carry out the integrations. The selection of
this state is arbitrary, and can be set by the user, but by default, ANSYS CFX uses the normal boiling
temperature (which is provided) as the reference temperature and the reference pressure is set to the
value of the vapor pressure evaluated using Equation 1.118 (p. 28) at the normal boiling point. The
reference enthalpy and entropy are set to zero at this point by default, but can also be overridden if
desired.
Other properties, such as the specific heat capacity at constant volume, can be evaluated from the in-
ternal energy. For example, the Redlich Kwong model uses:
(1.113)
(1.114)
where and are the volume expansivity and isothermal compressibility, respectively. These two values
are functions of derivatives of the equation of state and are given by:
(1.116)
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(1.117)
For materials that use the cubic equations of state ANSYS CFX approximates the vapor pressure curve
using a form given by Poling et al. [84]:
(1.118)
Vapor saturation properties are calculated by evaluating the equation of state and constitutive relations
along the saturation curve.
Instead, when you select to use one of the Redlich Kwong variants for a liquid, the properties are assumed
to vary along the vapor pressure curve as a function of saturation temperature. These properties are
approximate and should only be used when the amount of liquid in your calculation will be small. For
example, they work well with the equilibrium condensation model or non-equilibrium small droplet
phase change model.
To derive the liquid enthalpy and entropy, such that they are completely consistent with the gas phase,
requires all the same data as is provided for the gas phase: the critical point data, the acentric factor
and the zero pressure specific heat coefficients.
To calculate saturated liquid densities, an alternative equation of state originally published by Yamada
and Gunn (1973), is used by CFX that gives liquid specific volume as a function of temperature:
(1.119)
This equation is convenient because it only requires knowledge of the critical volume and temperature
as well as the acentric factor. The valid temperature range for the liquid equation of state is 0.4 <
< 0.99 . The solver will clip the temperature used in this equation to that range.
Saturated liquid enthalpy is calculated using knowledge of the gas saturation enthalpy and the following
equation:
(1.120)
where the enthalpy of vaporization, , is given by the following expression taken from Poling et al.
[84]:
(1.121)
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Governing Equations
Saturated liquid entropy can easily be derived using the second law and the gas saturation entropy:
(1.122)
Prediction of liquid specific heat capacity with the Redlich Kwong equation has a similar problem to
the liquid density, so ANSYS CFX uses an alternative form presented by Aungier (2000):
(1.123)
which requires knowledge of the zero pressure heat capacity coefficients, as well as the acentric factor.
For the saturated liquid it is assumed that .
Note that the use of either of the Redlich Kwong models for flows of almost entirely pure liquid is highly
discouraged. If you want to use one of the cubic equations of state for this type of problem, then use
the Peng Robinson or Soave Redlich Kwong state equations and set the expert parameter realeos
liquid prop to 2. This forces the liquid properties to be dependent on temperature and pressure,
fully consistently with the equation of state. Saturation properties are also evaluated as described for
gases in Real Gas Saturated Vapor Properties (p. 28).
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Basic Solver Capability Theory
Region 5 has not been implemented in ANSYS CFX because it represents a thermodynamic space at
very high temperatures (1073.15 - 2273.15 K) and reasonably low pressures (0-10 MPa) that can be ad-
equately described using other property databases already in ANSYS CFX (that is, Ideal Gas EOS with
NASA specific heat and enthalpy). Furthermore, because this region is not defined for pressures up to
100 MPa, as is the case for regions 1, 2 and 3, problems arise in filling out the pressure-temperature
space in the tables when temperatures exceed 1073.15 K and pressures exceed 10 MPa. The database
implemented in CFX therefore covers temperatures ranging from 273.15 to 1073.15 K and pressures
ranging from 611 Pa to 100 MPa.
The reference state for the IAPWS library is the triple point of water. Internal energy, entropy and enthalpy
are all set to zero at this point.
Tref = 273.16 K, Pref = 611.657 Pa, uliquid = 0 J/kg, sliquid = 0 J/kg/K, hliquid = 0 J/kg
In ANSYS CFX, the analytical equation of state is used to transfer properties into tabular form, which
can be evaluated efficiently in a CFD calculation. These IAPWS tables are defined in terms of pressure
and temperature, which are then inverted to evaluate states in terms of other property combinations
(such as pressure/enthalpy or entropy/enthalpy). When developing the IAPWS database for ANSYS CFX,
therefore, properties must be evaluated as functions of pressure and temperature. For the most part,
this involves a straightforward implementation of the equations described in the IAPWS theory [125].
Region 4 involves saturation data that uses only pressure or temperature information.
However, some difficulties are encountered when evaluating the properties around Region 3 (near the
critical point), where the EOS is defined explicitly in terms of density and temperature. In this region,
the density must be evaluated using Newton-Raphson iteration. This algorithm is further complicated
in that the EOS is applicable on both the subcooled liquid and superheated vapor side leading up to
critical conditions. Therefore, depending on the pressure-temperature state, one may be evaluating a
subcooled liquid or a superheated vapor with the same EOS. To apply the Newton-Raphson scheme in
a reliable way, one must detect on which side of the saturation dome the pressure-temperature state
applies, and apply an appropriate initial guess. Such an iteration scheme, including logic for an initial
guess, has been implemented in ANSYS CFX so that table generation around the critical region is possible.
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Governing Equations
In region 2, an additional set of equations have been developed for supercooled vapor conditions under
10 MPa. These equations have been tuned to match the saturation data. Above 10 MPa, the EOS for
the superheated region can safely be extrapolated into supercooled conditions, but it does not match
smoothly with the specialized supercooled equations below 10 MPa.
where the vapor pressure, , is calculated at . In addition to the critical point pressure, this
formula requires knowledge of the vapor pressure as a function of temperature.
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Noting that:
where ,
(1.125)
Note, however, that user-defined expressions for and must be thermodynamically consistent.
Consistency requires that mathematical properties for exact differentials be satisfied. For example,
suppose is an exact differential defined as:
Applying this concept to Equation 1.125 (p. 32), it therefore follows that general equations of state
must obey:
Note that it is valid to specify a general equation of state where density is a function of only. Under
these circumstances, it is impossible to heat the fluid at a constant volume, because the thermal expan-
sion cannot be compensated by a change in pressure. This corresponds to an infinite value for , which
the solver represents as a large constant number. Consequently, such an equation of state requires the
specification of (not ) as either a constant or a function of .
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Governing Equations
Within solid domains, the conservation of energy equation can account for heat transport due to solid
motion, conduction, and volumetric heat sources:
(1.126)
where , , and are the enthalpy, density, and thermal conductivity of the solid, respectively, and
is an optional volumetric heat source.
The reference frame for a solid domain is determined by the Domain Motion setting in CFX-Pre, and
can be either Stationary or Rotating. In equation Equation 1.126 (p. 33), none of the terms depend
on the reference frame. As a consequence, the Domain Motion setting has no effect on the solution
field in a solid domain. However, this setting is still required in some situations, as shown in the examples
presented below.
The term that has the solid velocity is an optional term that accounts for motion of the solid with
respect to the reference frame, and corresponds to the Solid Motion setting in CFX-Pre. For details,
see Solid Motion in the CFX-Pre User's Guide. This is an advection term applied to the temperature field.
The solid domain mesh does not actually move, but because the temperature field is moved, this setting
can be used to model solid motion that is tangential to the solid boundaries (you cannot advect the
temperature field through a solid boundary and outside the solid domain). Examples of when solid
motion can be used include:
In each of these examples, the solid domain must have the form of a simple extruded or revolved
volume to satisfy the tangential motion condition.
A rotating solid that is adjacent to a fluid domain can be modeled in different ways:
If the rotating solid is connected to a rotating fluid domain, and both have the same rotational speed (such
as for a turbine blade case), then the Domain Motion setting for both domains should be set to Rotating.
Solid motion should not be used in this case. In addition, if a periodic sector is used for the fluid and solid
domain, and the periodic boundaries do not line up circumferentially, a Frozen Rotor interface should be
used.
Note that, in this case, you can also set the solid Domain Motion setting to Stationary because
Equation 1.126 (p. 33) continues to apply even when the solid Domain Motion setting is changed.
Although this is a valid setup, it can be confusing, and CFX-Pre will issue a warning. You can ignore
the warning message for this specific case, but for clarity it is recommended that you set the solid
Domain Motion setting to Rotating and specify the same rotational velocity as for the adjacent
fluid domain.
If the rotating solid is a body of revolution (that is, the fluid solid interface is a surface of revolution), such
as a solid disk spinning in a fluid, and the fluid domain is stationary, then there are two valid approaches:
For the solid domain, you can set the Domain Motion setting to Rotating. As was stated above, this
setting does not change the equation solved in the solid domain, but it makes it clear that a frame change
model is required to account for the reference frame change. If the Frozen Rotor model is used, then the
solution will be the same as for a stationary solid. If there is non-axisymmetric flow in the fluid domain,
such as a hot jet impinging on the disk surface (not at the axis of rotation) then a transient simulation
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Basic Solver Capability Theory
with a transient rotator stator interface should be used, which is equivalent to rotating the solid domain
mesh as the solution proceeds. The hot jet will effectively see a different part of the solid disk as the
simulation progresses.
For the solid domain, you can set the Domain Motion setting to Stationary, then select the Solid
Motion option and specify a velocity to account for the rotation of the solid. This can be done with a
steady-state solution because it will activate the term involving as mentioned above. In this case, the
hot jet will always see the same part of the solid disk, but the temperature field will be advected around
the solid disk to account for the solid motion. When a rotating solid has a stationary heat source applied,
such as a brake disk where the brake pad is modeled as a heat source, it is best to use this approach because
it is computationally less expensive than a Transient Rotor Stator approach. A hot jet impinging on the
disk can also be considered a stationary heat source.
Note that applying a Domain Motion setting of Rotating to a solid domain, or adding solid motion,
will not have any effect on the fluid momentum equations, and therefore it is necessary to specify a
rotational wall velocity on the fluid side of a domain interface whenever a solid is rotating in a stationary
fluid domain (that is, whenever there is a frame change across the fluid-solid interface).
1.3. Buoyancy
For buoyancy calculations, a source term is added to the momentum equations as follows:
(1.127)
The density difference is evaluated using either the Full Buoyancy model or the Boussinesq
model, depending on the physics.
When buoyancy is activated, the pressure in the momentum equation excludes the hydrostatic gradient
due to . This pressure is related to the absolute pressure as follows:
(1.128)
where is a reference location. The buoyancy reference location option is set under the Ref.
Location option in CFX-Pre and can be set to a particular location. For details, see Buoyancy and
Pressure.
Absolute pressure is used to evaluate fluid properties that are functions of pressure; it can be visualized
in CFD-Post.
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Immersed Solids
(1.130)
, , and are the three components of fluid velocity and , , and are the components of
forcing velocity due to the immersed solid. The momentum source coefficient is a large number,
and is evaluated as the average of the three diagonal coefficients in the momentum equation. Further,
is the Momentum Force Scaling Factor, which is set to the default value of 10.0. The appropriate
setting of the Momentum Source Scaling Factor is a balance between accuracy and robustness. A
higher value leads to a more accurate solution but is less robust and can give convergence difficulties.
The presence of an immersed solid in the flow field is modeled through a special forcing function. If
no near-wall treatment is used near the immersed solid boundary, the function is set to be zero for
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Basic Solver Capability Theory
fluid nodes lying outside the immersed solid domain, and one for fluid nodes inside the immersed
solid. If near-wall treatment is activated, the function is set to be volume-averaged inside function
so that the values and the corresponding forcing terms near the immersed boundary will be non-
zero. The volume-averaged inside function averages the inside function, weighted by the nodal volume.
The solver automatically updates the mesh positions of the immersed solid at the beginning of each
time step, and then sets up a list of fluid nodes that lie inside the given immersed solid. The solver
applies the immersed solid sources to the fluid nodes that lie inside the immersed solid in order to
drive the fluid velocity towards the immersed solid velocity.
1.4.2.1. Notation
This section describes notation used in the following sections pertaining to immersed solids.
Figure 1.3: Notation for Nodes Near the Immersed Solid Boundary
Figure 1.3: Notation for Nodes Near the Immersed Solid Boundary (p. 36) shows a schematic diagram
of an immersed solid boundary (shown as a red line). The nodes and points near the boundary are
labeled for reference in the following sections. The meaning of each label is tabulated below.
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Immersed Solids
Label Meaning
IW in-wall node
in-wall point
IW
NW near-wall node
IB point on the immersed solid boundary
FL fluid node
FL fluid point
In the figure, the orange arrow represents the wall normal direction corresponding to the given NW
node. For each NW node, the solver searches through the surrounding fluid nodes, and determines the
corresponding FL node using a procedure that takes into account the normal distance from the immersed
boundary and the deviation from the normal direction.
NIBG elements are elements between corresponding NW and IW nodes. These are elements that the im-
mersed solid surface cuts through, and are colored blue in the figure above.
NIBF elements are elements between corresponding FL and NW nodes. These are elements that are imme-
diately adjacent to the NIBG elements and are colored white in the figure above.
is the wall distance between the NW node and the IB point along the wall normal direction.
The tangential forcing velocity at the near-wall fluid nodes is governed by:
(1.134)
where is the tangential forcing velocity at the NW node, is the dynamic viscosity at
the NW node, and are, respectively, the fluid velocity and dynamic viscosity at the FL node,
and is the distance between the corresponding FL point and NW node. Note that
is essentially the normal distance between this node and the immersed boundary.
The normal forcing velocity at the NW node is computed as the normal component of the velocity at
the IB point on the immersed boundary:
(1.135)
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Basic Solver Capability Theory
(1.136)
In this way, the velocity field is forced to flow around the immersed boundary to avoid (or alleviate)
the problem of streamlines penetrating the immersed solid.
For the near-immersed-boundary nodes, the physical distance from the immersed boundary tracking
method is used to implement the turbulent wall functions.
In the SST turbulence model, the turbulent eddy viscosity is computed from the turbulent kinetic energy
and turbulent frequency:
(1.137)
(1.138)
(1.139)
(1.140)
(1.141)
(1.142)
Here, is the fluid tangential velocity relative to the immersed boundary, and is computed as
the distance from the near-immersed-solid nodes to the immersed boundary. In the scalable wall
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Multicomponent Flow
function, the lower value of is limited to 11.06 at the intersection between the logarithmic and the
linear near wall profile.
Further, the velocity at the NW nodes is forced according to the wall function:
(1.143)
Similar to the case of laminar flow, the tangential velocity on the NW nodes is enforced according to
equation Equation 1.143 (p. 39) and the momentum source term is computed taking into account both
the wall normal velocity and tangential forcing velocity:
(1.144)
In this way, the velocity field will be forced to flow around the immersed boundary to avoid (or alleviate)
the problem of streamlines penetrating the immersed solid.
The bulk motion of the fluid is modeled using single velocity, pressure, temperature and turbulence
fields. The influence of the multiple components is felt only through property variation by virtue of
differing properties for the various components. Each component has its' own equation for conservation
of mass. After Reynolds-averaging (see Turbulence Models (p. 77)) this equation can be expressed in
tensor notation as:
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Basic Solver Capability Theory
(1.145)
where:
is the mass-average density of fluid component in the mixture, that is, the mass of the component
per unit volume,
is the source term for component , which includes the effects of chemical reactions.
Note that if all the terms in the expanded form of Equation 1.145 (p. 40) are summed over all compon-
ents, the result is the standard continuity equation,
(1.146)
The relative mass flux term accounts for differential motion of the individual components. This term
may be modeled in a number of ways to include effects of concentration gradients, a pressure gradient,
external forces or a temperature gradient. Of these possible sources of relative motion among the
mixture components, the primary effect is that of concentration gradient. The model for this effect gives
rise to a diffusion-like term in Equation 1.145 (p. 40).
(1.147)
The molecular diffusion coefficient, , is assumed to be equal to , where is the Kinematic Dif-
fusivity set on the Fluid Models tab for a domain in CFX-Pre. For details, see Fluid Models Tab in the
CFX-Pre User's Guide. A detailed description of the effects of the relative mass flux term and various
models for it may be found in reference [29].
(1.148)
Note that, by definition, the sum of component mass fractions over all components is 1. Substituting
Equation 1.148 (p. 40) and Equation 1.147 (p. 40) into Equation 1.145 (p. 40), you have:
(1.149)
The turbulent scalar fluxes are modeled using the eddy dissipation assumption as:
(1.150)
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Multicomponent Flow
where is the turbulent Schmidt number. Substituting Equation 1.150 (p. 40) into Equation 1.149 (p. 40)
and assuming now that you have mass weighted averages of :
(1.151)
where:
(1.152)
Equation 1.151 (p. 41) is simply a general advection-diffusion equation of the form common to the
equations solved for each of the other dependent variables in the fluid flow calculation. Thus, it is
convenient to solve for the in order to establish the composition of the fluid mixture.
(1.153)
The performance of the CFX-Solver will not be affected by your choice of constraint component.
Now consider a given volume of the fluid mixture. Let be the mass of component present in
this volume, then . The partial volume of component is defined to be the volume, , that
would be occupied by the given mass of the component at the same (local) temperature and pressure
as the mixture. The thermodynamic density of the component, which results from evaluating its
equation of state at the mixture temperature and pressure, may be expressed as . Because
the partial volumes of all components must sum to the total volume, , you have:
(1.154)
or:
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Basic Solver Capability Theory
(1.155)
Thus, the mixture density may be calculated from the mass fractions and the thermodynamic density
of each component, which may require knowledge of the mixture temperature and pressure, as well
as an appropriate equation of state for each component.
Note carefully the distinction between and . The component mass density, , is a quantity relating
to the composition of the mixture, while the thermodynamic density, , is a material property of the
component.
(1.156)
where is the property value for fluid component . While it may appear anomalous at first sight that
density does not conform to this expression, the specific volume (volume per unit mass, that is, )
does indeed conform, as can be seen by considering Equation 1.156 (p. 42). Properties that may be
evaluated for a multicomponent mixture using Equation 1.156 (p. 42) include the laminar viscosity ,
the specific heat at constant volume , the specific heat at constant pressure , and the laminar
thermal conductivity .
(1.157)
For turbulent flow, this term is Reynolds-averaged (see Turbulence Models (p. 77)) giving:
(1.158)
This expression introduces several terms involving the fluctuations of diffusion coefficient, component
enthalpy and species concentration. Under certain circumstances, the fluctuating components could
be an important component of the diffusion process. However, adequate models are not available
within the existing turbulence model to account for these effects. Thus, only the mean component is
retained in the current version of ANSYS CFX.
The implemented conservation of energy equation for multicomponent fluids involves only mean
scalar components and is expressed as:
(1.159)
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Multicomponent Flow
Equation 1.160 (p. 43) holds when the Lewis number is unity for all components: .
For turbulent flow, assuming for all components is usually just as good as the common practice
of using the fluid viscosity for the default component diffusivity (unity Schmidt number, ).
For , the energy equation (Equation 1.159 (p. 42)) simplifies exactly to the following:
(1.161)
Equation 1.161 (p. 43) has the advantage that only a single diffusion term must be assembled, rather
than one for each component plus one for heat conduction. This can significantly reduce numerical
cost, in particular when the fluid consists of a large number of components.
When component-dependent turbulent Schmidt numbers are specified, the turbulent energy flux must
be generalized. This is achieved by splitting the turbulent fluctuation of enthalpy into the contributions
from temperature fluctuation, pressure fluctuation and fluctuations of component mass fractions:
(1.162)
Using this transformation, the turbulent energy flux can be modeled by applying the eddy diffusivity
model with turbulent Prandtl number to the temperature fluctuations plus the sum of the secondary
enthalpy transport terms derived from the component mass fluxes:
(1.163)
(1.164)
(1.165)
Inserting the eddy diffusivity model for the turbulent component mass fluxes yields the following
model for the turbulent enthalpy flux:
(1.166)
The previous relation is equivalent to the eddy diffusivity model applied to enthalpy and generalized
for different and , as can be derived by expanding the enthalpy gradient term according to the
chain rule :
(1.167)
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Basic Solver Capability Theory
(1.168)
(1.169)
Using the above relations, the energy equation for generalized turbulent component transport becomes:
(1.170)
And for the special case that the eddy diffusivity assumption is used for modeling the turbulent mass
flux for each component:
(1.171)
For the Thermal Energy heat transfer model the pressure gradients are assumed to be small compared
to the other terms, and the corresponding terms are neglected from the equation.
(1.172)
where:
is the fluid velocity in the case of a fluid or porous domain, or in the case of a solid domain with
a specified solid motion velocity, where is the solid velocity.
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Additional Variables
is a volumetric source term, with units of conserved quantity per unit volume per unit time
For turbulent flow, this equation is Reynolds-averaged (see Turbulence Models (p. 77)) and becomes:
(1.173)
where:
(1.174)
where:
is a volumetric source term, with units of conserved quantity per unit volume per unit time
where:
is a volumetric source term, with units of conserved quantity per unit volume per unit time
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Important
Results obtained using an Additional Variable that references an existing variable may differ
from results obtained using the referenced variable directly. This is because the calculation
recipes used for such Additional Variables may differ from those used for the variable refer-
enced. An example of this occurs when the referenced variable is a wall or boundary only
variable. In particular, a variable-specific recipe may exist to gather integration point values
to nodes and this recipe may differ from the generic recipe applied for Additional Variables.
where:
(1.177)
(1.178)
and where is the location vector and is the relative frame velocity (that is, the rotating frame velocity
for a rotating frame of reference).
In the energy equation, the advection and transient terms use the rothalpy, , defined by Equa-
tion 1.179 (p. 46), in place of the total enthalpy.
(1.179)
(1.180)
The alternate rotation model modifies the advection and transient terms so they involve the absolute
frame velocity, , rather than the relative frame velocity, .
The change of variable in the advection term requires a modification of the original Coriolis source
term. The final form of the momentum equation becomes:
(1.181)
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Sources
Modeling details and recommendations on when this should be used are available in Alternate Rotation
Model in the CFX-Solver Modeling Guide.
1.8. Sources
Additional source terms can be applied either to a volume defined by a subdomain, or to a point
within a domain. A point source is actually implemented as a volumetric source within a single domain
element whose center is nearest to the specified point.
(1.182)
where is the permeability and is the quadratic loss coefficient. The linear component of this
source represents viscous losses and the quadratic term represents inertial losses.
Note
The source may alternatively be formulated using linear and quadratic resistance coefficients, substituting
two coefficients and as follows:
(1.183)
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(1.184)
(1.185)
where and are the streamwise and transverse permeabilities, and and are the
streamwise and transverse quadratic loss coefficients. These quantities may also be expressed in terms
of linear and quadratic resistance coefficients.
In addition, the transverse loss may be modeled by multiplying the streamwise coefficients by some
factor. If this option is used together with a streamwise permeability, the implied transverse permeab-
ility is equal to the streamwise permeability divided by this factor.
Note
where the quantities are the specified momentum components. In ANSYS CFX 18.1, a represent-
ative scalar linearization coefficient based on the derivative:
(1.189)
may be specified to provide robust convergence when a general momentum source is present.
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Boundary Conditions
A linearization coefficient
(1.190)
may also be specified to provide robust convergence when sources are present. For the energy equation,
the derivative is actually taken with respect to temperature.
The mass source contributes an additional term to all other transported variables :
(1.191)
The exterior must be specified in the case that is positive, in which case, the source behaves
very much like an inlet boundary condition.
For details, see Mass (Continuity) Sources in the CFX-Solver Modeling Guide.
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Basic Solver Capability Theory
and the solver will compute the rotation matrix that transforms these components from the cylindrical
components to the Cartesian components such that the boundary condition is the same as if Cartesian
components were specified:
(1.194)
For details, see Cylindrical Velocity Components in the CFX-Solver Modeling Guide.
The direction constraint for the Normal To Boundary option is the same as that for the Normal Speed
In option. Alternatively, the direction vector can be specified explicitly in terms of its three components.
In both cases, the boundary mass flow is an implicit result of the flow simulation.
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Boundary Conditions
(1.195)
where
(1.196)
is the integrated boundary surface area at a given mesh resolution. The area varies with mesh resolution
because the resolution determines how well resolved the boundary surfaces are. The value of is
held constant over the entire boundary surface.
1.9.1.2. Turbulence
For the - turbulence model and Reynolds stress models, the inlet turbulence quantities, and , are
either specified directly or calculated using expressions that scale the distribution at the inlet according
to the turbulence intensity, , where:
(1.197)
The advection flows are evaluated using the computed inlet values of and :
(1.200)
(1.201)
The diffusion flows are assumed to be negligible compared to advection, and are equated to zero.
which is an approximate value for internal pipe flow. The inlet turbulence energy is calculated using:
(1.203)
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where:
(1.205)
where is the turbulence intensity factor at the boundary condition. The default value of is 1000.
and
(1.207)
and
(1.209)
When the Reynolds stress model is employed, the Inlet boundary conditions are specified with the same
turbulence options as those for the - model. Additionally, the stress tensors are extracted using the
computed value of . This is done by assuming the Inlet boundary to be isotropic with respect to the
Reynolds stresses, such that the normal stress components are:
(1.210)
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Boundary Conditions
(1.214)
where is computed from the specific static enthalpy, , and the inlet boundary velocity:
(1.215)
The static enthalpy is computed using the specified value of , the boundary values of and ,
and the thermodynamic relationship for for the given fluid. The evaluation of depends
upon the nature of the mass and momentum specification for the boundary condition.
The Inlet energy flow by diffusion is assumed to be negligible compared to advection, and equated to
zero.
Additional information on the treatment of variable specific heat is available in Ideal Gas Equation of
State (p. 23).
The inlet flow by diffusion is assumed to be negligible compared to advection, and set to zero.
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Basic Solver Capability Theory
(1.225)
where is the imposed pressure at each integration point and the integral is evaluated over the entire
outlet boundary surface. To enforce this condition, the pressure at each boundary integration point is
set to:
(1.226)
So, the integration point pressure in this case is set to the specified value plus the difference between
the local nodal value and the average outlet boundary pressure. In this way the outlet pressure profile
can vary, but the average value is constrained to the specified value.
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Boundary Conditions
where the specified value is applied within a band and the nodal average pressure is also calculated
within a band.
From that distribution, you calculate the estimated total mass flow rate through the outlet boundary
condition:
(1.229)
where the summation is over all boundary integration points. A scaling factor is computed at the end
of each coefficient loop that is used to scale the local integration point mass flows such that they add
up to the specified mass flow rate:
(1.230)
Iteratively, during the computation, can be greater than or less than unity. The final integration point
mass flows are reset by multiplying the integration point mass flows by the scaling factor:
(1.231)
In this way, the mass flux profile is an implicit result of the solution and at the same time gives exactly
the specified mass flow rate.
1.9.3.1.9. Mass Flow Rate: Shift Pressure with or without Pressure Profile
This condition differs from the last one in that pressure is shifted in the continuity equation to get the
specified mass flow rate. Generally speaking, the mass flow rate at each boundary integration point is
dependent upon both velocity and pressure:
(1.232)
where the integration point velocity depends upon nodal velocity and integration point pressures
through the Rhie-Chow coupling. For this boundary condition, the integration point pressures are given
by an expression of the form:
(1.233)
where is an optional specified pressure profile, is the boundary node pressure, is the
outlet boundary nodal average pressure, is the Pressure Profile Blend factor that sets how much
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Basic Solver Capability Theory
the specified profile influences the boundary condition, and is the level shift factor automatically
computed by the CFX-Solver each coefficient loop to enforce the specified mass flow rate, such that:
(1.234)
where the sum, in this case, is over all the outlet boundary condition integration points.
1.9.3.1.10. Mass Flow Rate: Shift Pressure with Circumferential Pressure Averaging
A further extension of the shift pressure feature for outlet mass flow rate conditions (or outlet bound-
aries using an Average Static Pressure specification) enforces the specified profile as an average pressure
profile (or average pressure) in circumferential bands (radial or axial), held at a particular value.
Starting with the original formula for the integration point pressure in Equation 1.233 (p. 55): instead
of imposing a particular profile distribution, an average pressure profile within bands is introduced:
(1.235)
where: is the average pressure desired in band , and is the current average
nodal value in band . corresponds to the Pressure Profile Blend factor. When the specified profile
spatially varies, the flow solver will compute the average of that profile within each band and then use
those values for .
Performance of compressible turbomachinery is generally dependent on ten variables; blade tip diameter,
rotational speed, mass flow rate, inlet total temperature and pressure, exit total temperature and pressure,
gas constant, specific heat ratio, and viscosity. These ten variables may be reduced to six similarity cri-
teria: pressure ratio, temperature ratio, non-dimensional mass flow, non-dimensional speed, Reynolds
number, and the ratio of specific heats.
The non-dimensional mass flow parameter ( ) is taken as the ratio of the actual mass flow rate to that
which would pass through an orifice of diameter with a velocity equal to the stagnation speed of
sound.
(1.236)
where and are the stagnation (total) density and speed of sound at the outlet, respectively. The
ECMF is obtained by multiplying the non-dimensional mass flow by a constant value equal to the mass
that would pass through an orifice of the same diameter, , at a velocity equal to the speed of sound
at reference conditions.
(1.237)
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Boundary Conditions
at the local and reference conditions, where is the ratio of specific heats and is the specific gas
constant.
(1.238)
where and are the stationary frame total pressure and total temperature at the outlet.
To obtain a mass flow at the boundary, Equation 1.238 (p. 57)is rearranged to obtain the actual mass
flow rate based on the current outlet conditions and the specified corrected mass flow, written as:
(1.239)
where, and are mass averaged values of total pressure and temperature in the stationary frame
at the outlet.
Note that the current implementation is based on the ideal gas reduction above. While the boundary
condition will still provide the stability benefits for non-ideal gas simulations, the specified corrected
mass flow may not correspond exactly to Equation 1.237 (p. 56)due to differences in how and
are computed from the equation of state.
(1.240)
This equation is used to calculate the pressure gradient in each band, , based on the band
averaged tangential velocity, , and density, , as well as the band center radius, . The band edge
pressures, , are obtained by integrating this equation starting from the specified pressure at the radial
reference position. This pressure is used to constrain the solution pressure with the following equation:
(1.241)
where:
is linearly interpolated between the band edge values to the local face radius, r
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Basic Solver Capability Theory
As for all average static-pressure options, the pressure profile blend factor, F, can be applied to this
boundary condition. If the factor F=,1 then the pressure at each face is fully constrained to the pressure
obtained from the radial equilibrium condition, , so that a circumferential profile is not allowed
within the band. If the factor F=0, then a circumferential profile is allowed to develop with the average
of that profile equal to the radial equilibrium pressure.
1.9.3.2. Turbulence, Heat Transfer, Convected Additional Variables, and Other Scalars
For scalar quantities, the CFX-Solver imposes a constant gradient constraint (generally non-zero) at the
outlet boundary.
1.9.5. Opening
An opening boundary condition allows the fluid to cross the boundary surface in either direction. For
example, all of the fluid might flow into the domain at the opening, or all of the fluid might flow out
of the domain, or a mixture of the two might occur. An opening boundary condition might be used
where it is known that the fluid flows in both directions across the boundary.
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Boundary Conditions
The value is interpreted as relative total pressure for inflow and relative static pressure for outflow.
The direction component, normal to boundary condition or direction components, must also be specified.
The magnitude of the velocity at the opening boundary is then part of the solution.
with a velocity component specification at an opening boundary. The pressure drop is calculated using:
(1.245)
where is the magnitude of the velocity component normal to the opening boundary. For inflows,
the constraint on pressure and velocity becomes:
(1.246)
The coefficient can be used to model the pressure drop across a screen or other planar resistance.
For flow out of the domain the specified value is not used. The value for flow out of the domain is cal-
culated by the CFX-Solver and is the Additional Variable value taken from the solution field.
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Basic Solver Capability Theory
1.9.6. Wall
1.9.6.1. Mass and Momentum
1.9.6.1.1. No Slip (Not Moving, No Wall Velocity)
The velocity of the fluid at the wall boundary is set to zero, so the boundary condition for the velocity
becomes:
(1.250)
Cartesian Components: You can directly specify Cartesian components in a local coordinate frame or the
global coordinate frame:
(1.253)
Cylindrical Components: You can directly specify cylindrical components in a local cylindrical coordinate
system:
(1.254)
and the solver automatically transforms the cylindrical velocity components into the global Cartesian
coordinate system.
Counter-rotating Wall and Rotating Wall : A counter-rotating wall can be specified for walls in rotating
frames. In this case, the wall is stationary in the absolute frame; in the relative frame, it moves with a velocity:
(1.255)
where is the radial vector from the domain axis of rotation to the wall and is the domain angular
velocity.
A rotating wall can be specified in both stationary and rotating frames. This option is useful to use
in stationary domains when you would like to create a spinning wall. In this case, you enter a local
rotation axis for the wall boundary and the wall velocity:
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Boundary Conditions
(1.256)
The solver automatically transforms the specified wall velocity into Cartesian components. This option
could be used to duplicate the counter rotating wall option in rotating frames by explicitly setting the
angular velocity equal to minus one times the domain angular velocity.
1.9.6.2. Turbulence
The treatment of wall boundary conditions for turbulent flow is the same as for laminar flow, except
for No Slip. For details, see Modeling Flow Near the Wall (p. 127).
where is a specified heat transfer coefficient, is the specified boundary temperature, (that is,
outside the fluid domain) and is the temperature at the internal near-wall boundary element center
node. For details, see Heat Transfer in the CFX-Solver Modeling Guide.
For example, the normal velocity component at the symmetry plane boundary is set to zero:
(1.261)
and the scalar variable gradients normal to the boundary are also set to zero:
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Basic Solver Capability Theory
(1.262)
(1.263)
where is the domain volume (over all domains), , and are the , and extents of the domain
(over all domains) and is the area of an open boundary (that is, inlets, outlets or openings).
Further length scales are then calculated depending on the Length Scale Option parameter, which
can be Conservative, Aggressive or Specified Length Scale:
(1.264)
(1.265)
where is the arithmetic average of the velocity on a boundary, is the arithmetic average of
the nodal velocities, and are the maximum and minimum pressure values on an open
boundary and is the arithmetic average nodal density.
For compressible flows, a Mach number for the simulation is calculated as:
(1.266)
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Automatic Time Scale Calculation
(1.268)
where is the thermal expansivity and and are the maximum and minimum domain tem-
peratures (over all domains).
where:
(1.270)
with the dynamic viscosity , the total mass m and the total mass flow into the system .
For very small geometries, where the Reynolds number may be very small, including the diffusion scale
in the automatic timescale calculation can lead to very small timesteps, which can unnecessarily slow
down convergence. For such cases it may be better to use a physical timescale based on advection
scales instead.
(1.271)
If , then
(1.272)
The length scale used to calculate a solid time scale, , is calculated in the same manner as for fluid
time scales. The default value is taken as the cube root of the volume of the solid domain.
where each quantity is volume averaged over the solid. The solid time scale is finally calculated as:
(1.274)
where is the specified solid timescale factor, which has a default value of 1.
When a rotating motion is enabled in a solid domain, the advective time scale is then computed as
where is the angular velocity. The solid timestep is taken as the minimum between the diffusive
and this new advective ( ) timescale.
The value of the computed timestep size is recorded in the .out file.
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Basic Solver Capability Theory
More information on the mesh adaption process and controls is available in Mesh Adaption in the CFX-
Pre User's Guide.
Within the mesh adaption step itself, three processes take place:
2. The appropriate number of nodes are added to the existing mesh according to the adaption criteria cal-
culated.
3. The solution already calculated on the older mesh is linearly interpolated onto the new mesh.
This section describes the details of exactly which elements are refined and how the refinement takes
place.
If the adaption criteria method is Solution Variation, then the adaption criteria, , for a given mesh edge
of length is calculated as:
(1.275)
where is the adaption variable (such as density, pressure, and so on), is the global range
of the variable over all the nodes (excluding those on wall boundary conditions for turbulent flow),
is the difference between at one end of the edge and the other end, and is a scalar for
adaption variable to scale all the to take values between 0 and 1.
If the adaption criteria method is Variation * Edge Length, then the adaption criteria for a given
mesh edge of length is calculated as:
(1.276)
where: is the global range of the adaption variable over all the nodes (excluding those
on wall boundary conditions for turbulent flow), is the difference between at one end of the
edge and the other end, and is a length chosen to scale all the to take values between 0 and
1.
If you select more than one solution variable, then the adaption criteria are calculated for each variable at
each edge, and the sum over all adaption variables is used.
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Mesh Adaption
If you specify the adaption criteria to be an expression, then the expression is evaluated at each node, and
the calculation of the adaption criteria follows as if this were another solution variable.
The edges that have the largest adaption criteria are marked for refinement, providing that this would
not result in mesh edges that were shorter than the Minimum Edge Length, if this was specified.
The particular implementation of incremental adaption that is adopted in ANSYS CFX is known as
hierarchical refinement or h-refinement. Each adaption step consists of a structured refinement of
an existing mesh. A sequence of refinements form a set of hierarchical levels.
In each mesh adaption step, each mesh edge that is marked for adaption (see the previous section)
has an extra node placed half-way along it. The mesh elements that share this edge are then divided
to use the new node, subject to the following:
Neighboring elements must only differ by one refinement level. Hence, one mesh element cannot be divided
twice if its neighbor has not been divided at all.
Where possible, regular refinement of an element takes place. Regular refinement means that all the edges
of an element are divided into two, and the element split accordingly. To make this possible, extra nodes
may be added.
No hanging nodes are allowed. This means that if an extra node is added to an edge, all the mesh elements
that share that edge must be refined.
Only certain types of elements are allowed in the refined mesh: tetrahedron, prism, pyramid and hexahedron.
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Basic Solver Capability Theory
Note
Support for adaption of the mesh to the original surface geometry is expected in future re-
leases.
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Flow in Porous Media
Mesh adaption is limited to allocate 2^31-1 words of 4 byte integer stack space; this limits the maximum
problem size for mesh adaption to approximately 80 million elements (structured) and 200 million elements
(unstructured).
Mesh adaption cannot be used in multi-domain simulations or in cases with domain interfaces, porous do-
mains, elapsed time control, or external solver coupling. Mesh adaption also cannot be used for transient,
mesh-motion, radiative-tracking, or particle-transport cases.
The mesh may not be coarsened such that original mesh elements are combined. Mesh elements that have
been refined in earlier adaption steps may be coarsened, back to their original mesh elements, but not
beyond.
You must specify how much adaption takes place by specifying the maximum number of nodes in the final
mesh. You cannot specify that mesh adaption should take place until the mesh stops changing or until a
particular solution criterion is satisfied.
The method used is not well-suited to meshes with many high-aspect ratio elements, because it can only
refine elements in an isotropic manner.
If you set Mesh Adaption Criteria Method to Solution Variation without specifying Minimum Edge
Length, then you may over-refine in regions where there are discontinuities. If you want to adapt meshes
containing geometrically small features, you can exploit the adaption capability without limitation by not
setting any minimum edge length.
If you set Mesh Adaption Criteria Method to Variation * Edge Length, then you will not over-refine
discontinuities. This method places an emphasis on adapting long edges with large variations of solution
variable in preference to short edges with large variations of solution variable. This method will also refine
long edges with a small variation of solution variable.
Adaption criteria values for each node will be computed as the average value of all edges connected to the
node, and these values will be stored in the results file for visualization purposes.
If you find that the mesh adaption appears to have missed a discontinuity in a solution by refining the mesh
in front of or behind the discontinuity, then your solution was not sufficiently converged before mesh adaption
took place. As a solution containing a discontinuity develops, the location of such a discontinuity may move.
If the solution is not sufficiently converged before mesh adaption takes place, then the mesh will be refined
at the location of the discontinuity, which will move as convergence continues. A lower Target Residual
can be set on the Mesh Adaption/Advanced Parameters tab to correct this problem.
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Basic Solver Capability Theory
A fluid domain together with a model for momentum loss. The effects of porosity are accounted for only
through this loss term; all other terms in the governing equations are not changed. As a result, this formu-
lation can be called the superficial velocity formulation. For information on the momentum loss models
available with this formulation, see Momentum Sources (p. 47).
A porous domain that involves one or more fluids and an optional solid. Porosity modifies all terms in the
governing equations as well as the loss term. As a result, this formulation can be called the true velocity
formulation or the full porous model. This method supports solid models (for example, for modeling
thermal conductivity of the solid), and models for the interaction between the fluid and solid parts of the
domain.
In deriving the continuum equations, it is assumed that infinitesimal control volumes and surfaces are
large relative to the interstitial spacing of the porous medium, but small relative to the scales that you
want to resolve. Thus, given control cells and control surfaces are assumed to contain both solid and
fluid regions.
The volume porosity at a point is the ratio of the volume available to flow in an infinitesimal
control cell surrounding the point, and the physical volume of the cell. Hence:
(1.277)
It is assumed that the vector area available to flow, , through an infinitesimal planar control surface
of vector area is given by:
(1.278)
where: is a symmetric second rank tensor, called the area porosity tensor. Recall that the
dot product of a symmetric rank two tensor with a vector is the vector . ANSYS CFX presently
allows only to be isotropic; that is, .
In addition to the usual production and dissipation terms, the source term will contain transfer terms
from the fluid to the solid parts of the porous medium.
and:
(1.281)
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Flow in Porous Media
where is the true velocity, is the effective viscosity - either the laminar viscosity or a turbulent
quantity, and is a momentum source which, in addition to other terms such as buoyancy, includes
a contribution (where and represents a resistance to flow in the porous medium). This
is in general a symmetric positive definite second rank tensor, in order to account for possible aniso-
tropies in the resistance.
In the limit of large resistance, a large adverse pressure gradient must be set up to balance the resistance.
In that limit, the two terms on the right-hand side of Equation 1.281 (p. 68) are both large and of op-
posite sign, and the convective and diffusive terms on the left-hand side are negligible. Hence, Equa-
tion 1.281 (p. 68) reduces to:
(1.282)
Hence, in the limit of large resistance, you obtain an anisotropic version of Darcy's law, with permeab-
ility proportional to the inverse of the resistance tensor. However, unlike Darcy's law, you are working
with the actual fluid velocity components , which are discontinuous at discontinuity in porosity, rather
than the continuous averaged superficial velocity,
where is an effective thermal conductivity and is a heat source to the porous medium.
(1.284)
where is a volumetric source term to the porous medium, with units of conserved quantity per unit
volume per unit time.
(1.285)
(1.286)
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Basic Solver Capability Theory
where the solid fraction , and the interfacial heat transfer to the fluid from the solid, , is de-
termined using an overall heat transfer coefficient model using:
(1.287)
is the overall heat transfer coefficient between the fluid and the solid.
is the interfacial area density between the fluids and the solid. For multiphase flows, this concept
can be split into a fluid-independent interfacial area density and a contact area fraction between the
fluid and the solid:
(1.288)
where represents the contact area fraction of fluid with the solid. For single-phase flows, .
(1.289)
(1.290)
where , and the interfacial transfer between the fluid and the solid, , is determined using an
overall transfer coefficient model using:
(1.291)
is the overall additional variable transfer coefficient between the fluid and the solid.
is described in Heat Transfer Through the Fluid and Solid (p. 69).
Note that, in these models, the velocity may refer to either true velocity or superficial velocity. Changing
from one to the other leads to different coefficients. For fluid domains, the solver assumes that the
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Wall and Boundary Distance Formulation
coefficients multiply the superficial velocity, while for porous domains, you may choose either true or
superficial velocity.
For details on specifying fluid-specific sources in a multiphase flow, for a case involving a porous medium
(and for other cases), see Fluid-Specific Sources in the CFX-Solver Modeling Guide.
(1.292)
Integrate once:
(1.293)
Integrate again:
(1.294)
Because at , you can deduce that . You also know from Equation 1.293 (p. 71) that:
(1.295)
Substituting into Equation 1.294 (p. 71) for and , you are left with a quadratic equation for in
terms of and :
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(1.296)
where , , and
(1.298)
Dirichlet conditions of are applied on boundaries of interest (such as walls), and Neumann (or zero
flux) conditions are applied on other boundaries. Equation 1.298 (p. 72) is then evaluated, replacing
with ( is always positive) and is interpreted as the distance to the nearest
boundary where was set. This gives the following expression for desired distance:
(1.300)
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Wall Condensation Theory
(1.301)
(1.302)
is the binary diffusion coefficient, is the molar convective flux of the mixture, is the molar
density of the mixture and , are the molar fractions of the non-condensable and condensable
components, respectively.
Adding Equation 1.301 (p. 73) and Equation 1.302 (p. 73), using , gives . Hence, substi-
tuting into (Equation 1.302 (p. 73)) and rearranging gives:
(1.303)
Hence, integrating from the wall ( ) to the edge of the boundary layer ( ) gives:
(1.304)
It is convenient to express this result in terms of mass concentrations , , , and mass fluxes ,
, . Component mass concentrations are related to component molar concentrations and molecular
weights , as follows:
(1.305)
From Equation 1.305 (p. 73) and Equation 1.306 (p. 73), we define a mixture molecular weight relating
mixture mass and molar concentrations as follows:
(1.307)
Finally, we can substitute Equation 1.307 (p. 73) into Equation 1.304 (p. 73) to express the condensable
component mass flux as follows:
(1.308)
where the mass transfer coefficient for laminar flow, , is given by:
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Basic Solver Capability Theory
(1.309)
The condensable component molar fraction at the interface is determined by assuming that the vapor
is in thermal equilibrium with the liquid film at the interface, and hence its partial pressure is equal to
its saturation pressure at the interface temperature. In reality, the vapor at the edge of the boundary
layer may be a supersaturated wet vapor, or mist. Only the dry part of the vapor will form the concen-
tration gradient which drives the condensation mass flux. Hence, only the molar fraction of dry vapor
must be used to determine the mass flux. This is achieved by clipping the molar fraction at the edge
of the boundary layer as follows:
(1.310)
It is assumed that the liquid droplets suspended in the vapor are not transported to the interface, but
merely act as a reservoir for the production of dry vapor to counter the depletion of the boundary layer
by condensation.
Here, w subscripts refer to wall quantities, P subscripts refer to near wall mesh points, and is the
wall multiplier determined by the form of the turbulent wall function ( for laminar flow;
for turbulent flow, see [227]). Performing the same manipulations as in the previous section, we obtain:
(1.313)
As the multi-component flow model solves for mass fractions rather than molar fractions, it is more
convenient to work with mass fluxes and mass fractions rather than molar fluxes and mole fractions.
This gives the following formula for the condensation mass flux:
(1.314)
Note that the turbulent wall function array is only defined at no-slip walls. It is not defined at free slip
walls, specified stress walls, and non-overlap boundary conditions. Hence, wall condensation is disallowed
on these types of walls in the case of turbulent flows.
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Wall Condensation Theory
At an isothermal wall boundary, the wall is assumed to constitute an infinite reservoir on which the
effect of the condensation heat source is negligible, hence it is maintained at its constant temperature.
It is possible in principal to define other boundary mass sources in addition to the condensation sinks,
provided that they are consistent with the internal options used for the wall condensation term. However,
in the current implementation, additional mass sources on wall condensation boundaries are disallowed.
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Chapter 2: Turbulence and Wall Function Theory
This chapter describes:
2.1.Turbulence Models
2.2. Eddy Viscosity Turbulence Models
2.3. Reynolds Stress Turbulence Models
2.4. ANSYS CFX Transition Models
2.5. Large Eddy Simulation Theory
2.6. Detached Eddy Simulation Theory
2.7. Scale-Adaptive Simulation Theory
2.8. Modeling Flow Near the Wall
In principle, the Navier-Stokes equations describe both laminar and turbulent flows without the need
for additional information. However, turbulent flows at realistic Reynolds numbers span a large range
of turbulent length and time scales, and would generally involve length scales much smaller than the
smallest finite volume mesh, which can be practically used in a numerical analysis. The Direct Numerical
Simulation (DNS) of these flows would require computing power that is many orders of magnitude
higher than available in the foreseeable future.
To enable the effects of turbulence to be predicted, a large amount of CFD research has concentrated
on methods that make use of turbulence models. Turbulence models have been specifically developed
to account for the effects of turbulence without recourse to a prohibitively fine mesh and direct numer-
ical simulation. Most turbulence models are statistical turbulence model, as described below. The two
exceptions to this in ANSYS CFX are the Large Eddy Simulation model and the Detached Eddy Simulation
model.
In general, turbulence models seek to modify the original unsteady Navier-Stokes equations by the in-
troduction of averaged and fluctuating quantities to produce the Reynolds Averaged Navier-Stokes
(RANS) equations. These equations represent the mean flow quantities only, while modeling turbulence
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Turbulence and Wall Function Theory
effects without a need for the resolution of the turbulent fluctuations. All scales of the turbulence field
are being modeled. Turbulence models based on the RANS equations are known as Statistical Turbulence
Models due to the statistical averaging procedure employed to obtain the equations.
Simulation of the RANS equations greatly reduces the computational effort compared to a Direct Nu-
merical Simulation and is generally adopted for practical engineering calculations. However, the averaging
procedure introduces additional unknown terms containing products of the fluctuating quantities, which
act like additional stresses in the fluid. These terms, called turbulent or Reynolds stresses, are difficult
to determine directly and so become further unknowns.
The Reynolds (turbulent) stresses need to be modeled by additional equations of known quantities in
order to achieve closure. Closure implies that there is a sufficient number of equations for all the un-
knowns, including the Reynolds-Stress tensor resulting from the averaging procedure. The equations
used to close the system define the type of turbulence model.
(2.2)
where is a time scale that is large relative to the turbulent fluctuations, but small relative to the
time scale to which the equations are solved. For compressible flows, the averaging is actually weighted
by density (Favre-averaging), but for simplicity, the following presentation assumes that density fluctu-
ations are negligible.
For transient flows, the equations are ensemble-averaged. This allows the averaged equations to be
solved for transient simulations as well. The resulting equations are sometimes called URANS (Unsteady
Reynolds Averaged Navier-Stokes equations).
Substituting the averaged quantities into the original transport equations results in the Reynolds averaged
equations given below. For details, see Transport Equations (p. 21). In the following equations, the bar
is dropped for averaged quantities, except for products of fluctuating quantities.
(2.3)
(2.4)
where is the molecular stress tensor (including both normal and shear components of the stress).
The continuity equation has not been altered but the momentum and scalar transport equations contain
turbulent flux terms additional to the molecular diffusive fluxes. These are the Reynolds stresses, .
These terms arise from the nonlinear convective term in the un-averaged equations. They reflect the
fact that convective transport due to turbulent velocity fluctuations will act to enhance mixing over
and above that caused by thermal fluctuations at the molecular level. At high Reynolds numbers, tur-
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Eddy Viscosity Turbulence Models
bulent velocity fluctuations occur over a length scale much larger than the mean free path of thermal
fluctuations, so that the turbulent fluxes are much larger than the molecular fluxes.
(2.5)
This equation contains an additional turbulence flux term, compared with the instantaneous
equation. For details on this, see Equation 1.86 (p. 21). The term in the equation is
the viscous work term that can be included by enabling Viscous Work in CFX-Pre.
Note that the Total Enthalpy contains a contribution from the turbulent kinetic energy, k, given by:
(2.7)
Similarly, the Additional Variable may be divided into an average component, , and a time varying
component, . After dropping the bar for averaged quantities, except for products of fluctuating
quantities, the Additional Variable equation becomes
(2.8)
Turbulence models close the Reynolds averaged equations by providing models for the computation
of the Reynolds stresses and Reynolds fluxes. CFX models can be broadly divided into two classes: eddy
viscosity models and Reynolds stress models.
The eddy viscosity hypothesis assumes that the Reynolds stresses can be related to the mean velocity
gradients and eddy (turbulent) viscosity by the gradient diffusion hypothesis, in a manner analogous
to the relationship between the stress and strain tensors in laminar Newtonian flow:
(2.9)
Analogous to the eddy viscosity hypothesis is the eddy diffusivity hypothesis, which states that the
Reynolds fluxes of a scalar are linearly related to the mean scalar gradient:
(2.10)
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where is the eddy diffusivity, and this has to be prescribed. The eddy diffusivity can be written as:
(2.11)
where is the turbulent Prandtl number. Eddy diffusivities are then prescribed using the turbulent
Prandtl number.
The above equations can express turbulent fluctuations in terms of functions of the mean variables
only if the turbulent viscosity, , is known. Both the - and - two-equation turbulence models use
this variable.
Subject to these hypotheses, the Reynolds averaged momentum and scalar transport equations become:
(2.12)
where is the sum of the body forces, and is the Effective Viscosity defined by:
(2.13)
(2.14)
involves the divergence of velocity. It is neglected in ANSYS CFX, although this assumption is strictly
correct only for incompressible fluids.
The treatment of the second term in the right-hand side of Equation 2.14 (p. 80) depends on the expert
parameter pressure value option, which can take the following values:
Option Description
1 When is required (for example, to calculate material properties), it is derived
from using Equation 2.14 (p. 80).
2 When is required (for example, to calculate material properties), it is
approximated as being equal to .
This is the
default. Option 2 is an approximation that may be numerically better-behaved than
option 1.
3 is not computed using the term . However, this term is incorporated
directly in the momentum equation.
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Eddy Viscosity Turbulence Models
(2.15)
Note that although the transformation of the molecular diffusion term may be inexact if enthalpy depends
on variables other than temperature, the turbulent diffusion term is correct, subject to the eddy diffus-
ivity hypothesis. Moreover, as turbulent diffusion is usually much larger than molecular diffusion, small
errors in the latter can be ignored.
Similarly, the Reynolds averaged transport equation for Additional Variables (non-reacting scalars) be-
comes:
(2.16)
Eddy viscosity models are distinguished by the manner in which they prescribe the eddy viscosity and
eddy diffusivity.
The zero equation model in ANSYS CFX uses an algebraic equation to calculate the viscous contribution
from turbulent eddies. A constant turbulent eddy viscosity is calculated for the entire flow domain.
The turbulence viscosity is modeled as the product of a turbulent velocity scale, , and a turbulence
length scale, , as proposed by Prandtl and Kolmogorov,
(2.17)
where is a proportionality constant. The velocity scale is taken to be the maximum velocity in the
fluid domain. The length scale is derived using the formula:
(2.18)
where is the fluid domain volume. This model has little physical foundation and is not recommended.
The - and - two-equation models use the gradient diffusion hypothesis to relate the Reynolds
stresses to the mean velocity gradients and the turbulent viscosity. The turbulent viscosity is modeled
as the product of a turbulent velocity and turbulent length scale.
In two-equation models, the turbulence velocity scale is computed from the turbulent kinetic energy,
which is provided from the solution of its transport equation. The turbulent length scale is estimated
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from two properties of the turbulence field, usually the turbulent kinetic energy and its dissipation rate.
The dissipation rate of the turbulent kinetic energy is provided from the solution of its transport equation.
The - model introduces two new variables into the system of equations. The continuity equation is
then:
(2.19)
(2.20)
where is the sum of body forces, is the effective viscosity accounting for turbulence, and is
the modified pressure as defined in Equation 2.14 (p. 80).
The - model, like the zero equation model, is based on the eddy viscosity concept, so that:
(2.21)
where is the turbulence viscosity. The - model assumes that the turbulence viscosity is linked to
the turbulence kinetic energy and dissipation via the relation:
(2.22)
The values of and come directly from the differential transport equations for the turbulence kinetic
energy and turbulence dissipation rate:
(2.23)
(2.24)
where , , and are constants. For details, see List of Symbols (p. 2).
and represent the influence of the buoyancy forces, which are described below. is the turbu-
lence production due to viscous forces, which is modeled using:
(2.25)
For incompressible flow, is small and the second term on the right side of Equa-
tion 2.25 (p. 82) does not contribute significantly to the production. For compressible flow,
is only large in regions with high velocity divergence, such as at shocks.
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Eddy Viscosity Turbulence Models
The term in Equation 2.25 (p. 82) is based on the frozen stress assumption [54]. This prevents the
values of and becoming too large through shocks, a situation that becomes progressively worse as
the mesh is refined at shocks. The parameter Compressible Production (accessible on the Advanced
Control part of the Turbulence section in CFX-Pre (see Turbulence in the CFX-Pre User's Guide)) can be
used to set the value of the factor in front of , the default value is 3, as shown. A value of 1 will provide
the same treatment as CFX-4.
In order to avoid the build-up of turbulent kinetic energy in stagnation regions, two production limiters
are available. For details, see Production Limiters (p. 89).
(2.26)
This buoyancy production term is included in the equation if the Buoyancy Turbulence option in
CFX-Pre is set to Production, or Production and Dissipation. It is also included in the
equation if the option is set to Production and Dissipation. is assumed to be proportional
to and must be positive, therefore it is modeled as:
(2.28)
If the directional option is selected, then is modified by a factor accounting for the angle between
velocity and gravity vectors:
(2.29)
Dissipation Coefficient, C3 = 1
For omega based turbulence models, the buoyancy turbulence terms for the equation are derived
from and according to the transformation .
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(2.30)
where:
(2.31)
and:
(2.32)
The - models assume that the turbulence viscosity is linked to the turbulence kinetic energy and
turbulent frequency via the relation:
(2.33)
-equation:
(2.34)
-equation:
(2.35)
In addition to the independent variables, the density, , and the velocity vector, , are treated as known
quantities from the Navier-Stokes method. is the production rate of turbulence, which is calculated
as in the - model Equation 2.25 (p. 82).
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Eddy Viscosity Turbulence Models
(2.36)
(2.37)
(2.38)
(2.39)
(2.40)
(2.41)
In order to avoid the build-up of turbulent kinetic energy in stagnation regions, two production limiters
are available. For details, see Production Limiters (p. 89).
The buoyancy production term is included in the -equation if the Buoyancy Turbulence option in
CFX-Pre is set to Production or Production and Dissipation. The formulation is the same is given in
Equation 2.26 (p. 83) and Equation 2.27 (p. 83).
The buoyancy turbulence terms for the -equation are derived from and according to the
transformation .
Here the first term on the right hand side, which comes from the -equation, is included only if the
Buoyancy Turbulence option is set to Production and Dissipation. The second term, originating from
the -equation, is included with both Production and Production and Dissipation options.
If the directional option is selected, then the first term on the right hand side is modified according to
Equation 2.29 (p. 83):
(2.43)
Wilcox model:
(2.44)
(2.45)
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Transformed model:
(2.46)
(2.47)
Now the equations of the Wilcox model are multiplied by function , the transformed - equations
by a function and the corresponding - and - equations are added to give the BSL model. In-
cluding buoyancy effects the BSL model reads:
(2.48)
(2.49)
The coefficient in the buoyancy production term in Equation 2.42 (p. 85) and Equation 2.43 (p. 85)
is also replaced by the new coefficient .
The coefficients of the new model are a linear combination of the corresponding coefficients of the
underlying models:
(2.50)
The BSL model combines the advantages of the Wilcox and the - model, but still fails to properly
predict the onset and amount of flow separation from smooth surfaces. This deficiency is discussed in
detail by Menter [9], but primarily arises because these models, which do not account for the transport
of the turbulent shear stress, overpredict the eddy-viscosity. The proper transport behavior can be ob-
tained by a limiter to the formulation of the eddy-viscosity:
(2.60)
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Eddy Viscosity Turbulence Models
where
(2.61)
Again is a blending function similar to , which restricts the limiter to the wall boundary layer, as
the underlying assumptions are not correct for free shear flows. is an invariant measure of the strain
rate.
Note
The blending functions are critical to the success of the method. Their formulation is based on the dis-
tance to the nearest surface and on the flow variables.
(2.63)
with:
(2.64)
where is the distance to the nearest wall, is the kinematic viscosity and:
(2.65)
(2.66)
with:
(2.67)
During the solution of a simulation using the SST or BSL model, you will see a plot in the CFX-Solver
Manager for Wall Scale. These models require the distance of a node to the nearest wall for performing
the blending between - and - . Detailed information on the wall scale equation is available in Wall
and Boundary Distance Formulation (p. 71).
The high-lift modification for the SST turbulence model (SST-HL) is based on the observation that for
numerous airfoil predictions, the SST model over-predicts the maximum lift achievable. In terms of
physics, this means that the standard SST model predicts less and later flow separation from the airfoil
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Turbulence and Wall Function Theory
than has been observed in experiments. The high-lift modification allows the fine tuning of the SST
model for such applications. The default value (0.9) of the tuning parameter (CHL Coefficient) is optim-
ized for a wide range of flows. Setting the parameter value to unity reverts the model back to the
standard SST model. It is worth noting that all other available eddy-viscosity models lead to even
stronger deviations from experimental data compared to the SST model and so do not offer an altern-
ative to the SST-HL modification.
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Eddy Viscosity Turbulence Models
the SST model to enhance turbulence levels in the separating shear layers emanating from walls. This
modification becomes less effective with increasing mesh refinement, and, as a result, is not an official
amendment to the SST model. Nevertheless, the RM model is suitable for typical engineering applications,
and has become especially popular for modeling turbomachinery flows.
Note
The RM model should be used only to model flows separating from smooth surfaces under the
influence of adverse pressure gradients. It should not be treated as a general-purpose enhance-
ment to the SST model, as this may suppress errors caused by poor mesh definition or inappro-
priate model assumptions.
If the geometry of your case is complex, the RM model may be active in unintended regions.
In investigating 2D cases, the RM model loses effectiveness when the mesh resolution in the
boundary layer exceeds ~ 100 cells. With such significant mesh refinement, the RM model behaves
like the standard SST model.
In free mixing layers, the ratio of turbulence production to dissipation, , has an equilibrium
value of . However, the equilibrium value of is greatly exceeded in regions of large flow separ-
ation from smooth surfaces. Based on this observation, the RM model adds a source term to the right-
hand side of the -equation used in the SST model. This source term, , is given by:
(2.68)
is a function that was introduced to avoid interaction between the RM model and laminar-turbulent
transition models (see ANSYS CFX Transition Models (p. 103)). The function is given by:
(2.69)
where represents kinematic viscosity and is an adjustable coefficient whose default value is
. Note that decreasing the value of tends to decrease the effectiveness of the function .
The coefficient is called Clip Factor and has a value of 10 for based models. This limiter
does not affect the shear layer performance of the model, but has consistently avoided the stagnation
point build-up in aerodynamic simulations.
Using the standard Boussinesq-approximation for the Reynolds stress tensor, the production term
can be expressed for incompressible flow as:
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Turbulence and Wall Function Theory
(2.71)
where denotes the magnitude of the strain rate and the strain rate tensor.
Kato and Launder [128] noticed that the very high levels of the shear strain rate in stagnation regions
are responsible for the excessive levels of the turbulence kinetic energy. Because the deformation near
a stagnation point is nearly irrotational, that is the vorticity rate is very small, they proposed the fol-
lowing replacement of the production term:
(2.72)
where denotes the magnitude of the vorticity rate and the vorticity tensor. In a simple shear flow,
and are equal. Therefore, formulation recovers in such flows, as seen in the first parts of Equa-
tion 2.71 (p. 90) and Equation 2.72 (p. 90).
The production limiters described above are available for the two based turbulence models and for
the (k, )-, BSL- and SST-turbulence models. They are available in the Advanced Control settings of the
Turbulence Model section in CFX-Pre. For details, see Turbulence: Option in the CFX-Pre User's Guide.
The allowed options of the production limiter are Clip Factor and Kato Launder.
It is used as a multiplier of the production term and has been limited in ANSYS CFX in the following
way:
(2.74)
where
and
The original function is limited in the range from 0.0 corresponding, for example, to a strong convex
curvature (stabilized flow, no turbulence production) up to 1.25 (for example, strong concave curvature,
enhanced turbulence production). The lower limit is introduced for numerical stability reasons, whereas
the upper limit is needed to avoid overgeneration of the eddy viscosity in flows with a destabilizing
curvature/rotation. The specific limiter 1.25 provided a good compromise for different test cases that
have been considered with the SST model (for example, flow through a U-turn, flow in hydrocyclone,
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Eddy Viscosity Turbulence Models
and flow over a NACA 0012 wing tip vortex [192]). The scaling coefficient has been introduced
to enable you to influence the effect of the curvature correction if needed for a specific flow. The default
value of this scaling coefficient is 1.0 and can be changed on the Fluid Models tab of the Domain details
view in CFX-Pre.
Assuming that all the variables and their derivatives are defined with respect to the reference frame of
the calculation, which is rotating with a rate , the arguments and of the function are
defined in the following way:
(2.75)
(2.76)
where the first term in brackets is equivalent to the 2nd velocity gradient (in this case the Lagrangian
derivative of the strain rate tensor) and the 2nd term in the brackets is a measure of the system rotation.
The strain rate and vorticity tensor are defined, respectively, using Einstein summation convention as
(2.77)
(2.78)
where
and, where
are the components of the Lagrangian derivative of the strain rate tensor.
Finally, based on the performed tests, the empirical constants , and involved in Equa-
tion 2.73 (p. 90) are set equal to 1.0, 2.0, and 1.0, respectively.
This curvature correction is available for and -based eddy-viscosity turbulence models ( , RNG
, - , BSL, SST) as well as the DES-SST and SAS-SST turbulence models.
(2.79)
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where is the kinematic eddy viscosity, is the turbulent kinematic eddy viscosity and is a model
constant.
The model contains a destruction term, which accounts for the structure of turbulence and is based on
the von Karman length scale:
(2.80)
where S is the shear strain rate tensor. The eddy viscosity is computed from:
(2.81)
In order to prevent a singularity of the formulation as the von Karman length scale goes to zero, the
destruction term is reformulated as follows:
(2.82)
(2.83)
Coefficient Value
c 1 0.144
c 2 1.86
c 3 7.0
+ 13.5
A
0.41
1.0
By default, the model is solved in combination with the scalable wall function. For details, see Scalable
Wall Functions (p. 127).
(2.84)
where D 2 is required to compute the eddy-viscosity that goes into the momentum equations:
(2.85)
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Reynolds Stress Turbulence Models
The low Reynolds formulation of the model requires a near wall mesh resolution of .
Algebraic Reynolds stress models solve algebraic equations for the Reynolds stresses, whereas differential
Reynolds stress models solve differential transport equations individually for each Reynolds stress
component.
The exact production term and the inherent modeling of stress anisotropies theoretically make Reynolds
stress models more suited to complex flows; however, practice shows that they are often not superior
to two-equation models.
The Reynolds averaged momentum equations for the mean velocity are:
(2.86)
where is a modified pressure, is the sum of body forces and the fluctuating Reynolds stress
contribution is . Unlike eddy viscosity models, the modified pressure has no turbulence contribution
and is related to the static (thermodynamic) pressure by:
(2.87)
In the differential stress model, is made to satisfy a transport equation. A separate transport
equation must be solved for each of the six Reynolds stress components of . The differential
equation Reynolds stress transport is:
(2.88)
where and are shear and buoyancy turbulence production terms of the Reynolds stresses re-
spectively, is the pressure-strain tensor, and C is a constant.
Buoyancy turbulence terms also take the buoyancy contribution in the pressure strain term into
account and are controlled in the same way as for the and model. See the discussion below
Equation 2.27 (p. 83).
(2.89)
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where is the pressure-strain correlation, and , the exact production term, is given by:
(2.90)
where the second term represents the buoyancy contribution from the pressure-strain term (Launder
[196]), and is given by
(2.92)
(2.93)
where is the thermal expansion coefficient. Otherwise the term is modeled as (full buoyancy model
based on density differences)
(2.94)
As the turbulence dissipation appears in the individual stress equations, an equation for is still required.
This now has the form:
(2.95)
In these equations, the anisotropic diffusion coefficients of the original models have been replaced by
an isotropic formulation, which increases the robustness of the Reynolds stress model.
The Reynolds stress model is also available with anisotropic diffusion coefficients. In this case, the CFX-
Solver solves the following equations for the transport of the Reynolds stresses:
(2.96)
where is the pressure-strain correlation, and , the exact production term, is given by Equa-
tion 2.90 (p. 94).
In this case the production due to buoyancy is for the Boussinesq approximation modeled as:
(2.97)
Otherwise the term is modeled as (full buoyancy model based on density differences):
(2.98)
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Reynolds Stress Turbulence Models
(2.99)
where is the slow term, also known as the return-to-isotropy term, and is called the rapid
term.
There are three varieties of the standard Reynolds stress models based on the -equation available.
These are known as LRR-IP, LRR-QI and SSG. The LRR-IP and LRR-QI models were developed by Launder,
Reece and Rodi [4]. In both models, the pressure-strain correlation is linear. IP stands for Isotropization
of Production and is the simplest of the 3 models. The two terms read:
(2.101)
(2.102)
QI stands for Quasi-Isotropic and differs from the IP model in the formulation of the rapid term:
(2.103)
(2.104)
The SSG model was developed by Speziale, Sarkar and Gatski [5] and uses a quadratic relation for the
pressure-strain correlation.
In order to compare the pressure-strain correlations for the three models, a general form can be derived
based on the anisotropy tensor and the mean strain rate tensor and vorticity tensor, and re-
spectively. The general form reads:
(2.105)
(2.106)
where
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(2.107)
(2.108)
(2.109)
This general form can be used to model linear and quadratic correlations by using appropriate values
for the constants. The constants are listed in the table below for each model.
Model
LRR-IP 0.1152 1.10 0.22 0.18 1.45 1.9
LRR-QI 0.1152 1.10 0.22 0.18 1.45 1.9
SSG 0.1 1.36 0.22 0.18 1.45 1.83
Model
LRR-IP 1.8 0.0 0.0 0.8 0.0 0.6 0.6
LRR-QI 1.8 0.0 0.0 0.8 0.0 0.873 0.655
SSG 1.7 -1.05 0.9 0.8 0.65 0.625 0.2
Selection of the appropriate model is carried out on the Fluid Models panel of the Domains form in
CFX-Pre. The following options correspond to the types of models listed above:
The coefficients of the pressure strain term can be specified in CFX-Pre in the general form for the LRR-
QI and SSG models. The LRR-IP model has been added for completeness in the table above. In CFX-Pre
the pressure strain coefficients of the LRR-IP are asked in the form as given in Equation 2.101 (p. 95)
and Equation 2.102 (p. 95). For the Boussinesq buoyancy model the default value of is 0.9 for LRR-
IP and LRR-QI and 2/3 for SSG. In the full buoyancy model based on density differences the default
value of is 1.0 for all models.
The Reynolds Stress- turbulence model, or SMC- model, is a Reynolds stress model based on the
-equation. The advantage of the -equation is that it allows for a more accurate near wall treatment
with an automatic switch from a wall function to a low-Reynolds number formulation based on the
mesh spacing.
The modeled equations for the Reynolds stresses can be written as follows:
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Reynolds Stress Turbulence Models
(2.110)
The production due to buoyancy is modeled in the same way as given in the Equation 2.93 (p. 94) and
Equation 2.94 (p. 94). The default value of is 0.9 for the Boussinesq buoyancy model and 1.0 in the
full buoyancy model based on density differences.
(2.111)
(2.112)
(2.113)
(2.114)
The value of here corresponds to the model. For details, see The Wilcox k-omega Model (p. 84).
The von Karman constant has a commonly used value of 0.41.
(2.115)
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The blending of coefficients is done by smooth linear interpolation with the same weight function F1
as the one used in a cross-diffusion term of the -equation (Equation 2.113 (p. 97)):
(2.116)
where with:
(2.117)
and
(2.118)
(2.119)
(2.120)
The tensor D ij, participating in the pressure-strain model Equation 2.119 (p. 98), differs from the pro-
duction tensor in the dot-product indices:
(2.121)
The turbulent viscosity in the diffusion terms of the balance equations (Equation 2.110 (p. 97) and
Equation 2.111 (p. 97)) is calculated in the same way as in the Wilcox model. For details, see The
Wilcox k-omega Model (p. 84).
(2.122)
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Reynolds Stress Turbulence Models
The necessary additional source terms to account for the Coriolis forces have been implemented into
ANSYS CFX for use with any of the available Reynolds stress transport models. These terms are described
in a book by Wilcox [30], and in more detail in a paper by Launder, Tselepidakis and Younis [31].
If the flow equations are written in the frame of the coordinate system, which rotates relative to the
steady inertial frame with a rate then one new source term G ij has to be added directly to the
right hand side of the transport equation for , Equation 2.110 (p. 97):
(2.123)
where is a Levi-Chivita factor, equal to 1 if its indices {i,j,k} form an even permutation of {1,2,3},
equal to -1 for an odd permutation of {1,2,3}, and equal to 0 if any two indices are equal.
Besides the absolute velocity gradient tensor, participating in the production tensor Equation 2.120 (p. 98)
and in the model equation for the pressure-strain correlation Equation 2.119 (p. 98), is written in the
rotating frame as a sum of the strain rate tensor S ij:
(2.124)
and the vorticity tensor , which has an additional term due to system rotation:
(2.125)
This representation of the velocity gradient results in an apparent additional source term G ij Equa-
tion 2.123 (p. 99), coming from the production term ( ). That is why in reference [31] the Coriolis
source term G ij differs from Equation 2.123 (p. 99) by an additional factor of 2.
Secondary flows
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The implementation is based on the explicit algebraic Reynolds stress model of Wallin and Johansson
[188]. Differences from the original formulation by Wallin and Johansson are explained in the following
text. The current EARSM formulation can be used in CFX together with either the BSL or
model. It is recommended that the current EARSM formulation be used with the BSL model (BSL EARSM).
With EARSM, the Reynolds stresses are computed from the anisotropy tensor according to its definition
(see Equation 2.107 (p. 96)):
where the anisotropy tensor is searched as a solution of the following implicit algebraic matrix
equation:
(2.126)
The coefficients in this matrix equation depend on the -coefficients of the pressure-strain term in
the underlying Reynolds stress transport model. Their values are selected here as =1.245, =0, =1.8,
=2.25.
The values of , , and are the same as those used in the original model by Wallin and Johansson
[188 ]. As for the value of , it is increased from 1.2 to 1.245 in the course of calibrating EARSM for its
use together with the BSL model.
and denote the non-dimensional strain-rate and vorticity tensors, respectively. They are defined
as:
(2.127)
(2.128)
In order to arrive at an explicit solution of the Equation 2.126 (p. 100), the anisotropy tensor is expressed
as a polynomial based on the strain rate and the vorticity tensors as follows:
(2.130)
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Reynolds Stress Turbulence Models
The invariants, which appear in the formulation of the anisotropy tensor and the coefficients, are defined
by:
The model representation of the anisotropy tensor Equation 2.130 (p. 100) and its coefficients follows
the original model by Wallin and Johansson [188] with two differences. First, the fourth order tensor
polynomial contribution (the term) is neglected in Equation 2.130 (p. 100). Second,
the tensor basis is slightly changed for convenience according to Apsley and Leschziner [219]. Although
the tensor basis is changed, the model remains algebraically equivalent to the original model of Wallin
and Johansson. The latter change results in correspondingly changed expressions for the coefficients
.
In three-dimensional flows, the equation to be solved for the function is of sixth order and no explicit
solution can be derived, whereas in two-dimensional mean flows the function can be derived from
a cubic equation, an analytic solution of which is recommended by Wallin and Johansson [188] also for
three-dimensional cases:
(2.131)
where
A diffusion correction, suggested by Wallin and Johansson [188], is also implemented in CFX as an option.
This correction consists in the replacement of in the above written formulas for , and , through
:
where is the equilibrium value of , that is a value of achieved under the source term equilibrium
= :
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For the parameter , which scales the degree of the diffusion correction, Wallin and Johansson
suggest a value of 2.2. In the current CFX implementation, it is set by default to zero, but this can be
overridden.
In the original model by Wallin and Johansson [188], the diffusion terms in the transport equations for
and (or ) were calculated using the effective eddy viscosity, , of
EARSM, where . The EARSM model, implemented in CFX, uses the standard eddy viscosity
for the diffusion terms. This model change helps to avoid the problems with the
asymptotic behavior at the boundary layer edge, which were reported by Hellsten [190].
For the underlying or BSL model, the standard coefficients are used.
(2.132)
where the contribution of the curvature correction based on the work of Wallin and Johansson [189]
and Spalart and Shur [191] is given in the following way:
(2.133)
where
and
In this formulation represents the Levi-Chivita factor, which is equal to 0 if two or more indices are
equal, 1 if the indices {i,j,k} form an even permutation of {1,2,3} and 1 if they form an odd permutation.
are the components of the coordinate system rotation vector. The coefficient has to be calibrated.
The scaling coefficient has been introduced similar to the Curvature Correction of Two-Equation
Models in order to enable you to influence the effect of the curvature correction term
In a rotational frame of reference, where the coordinate system rotates relative to a steady inertial frame,
the vorticity tensor reads:
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ANSYS CFX Transition Models
(2.134)
Because the anisotropy tensor is computed in terms of nondimensional strain-rate and vorticity tensors,
the nondimensional form of this term becomes:
(2.135)
It should be noted that there are significant robustness issues with the streamline curvature model
described in Equation 2.133 (p. 102). This is because one has the second velocity derivative (that is, the
gradient of the strain rate) divided by the first velocity derivative (that is, the strain rate). Consequently,
numerical noise in the second velocity derivative is amplified when the strain rate is small (for example,
in the free stream outside of a shear layer). Because the curvature corrected Reynolds stresses enter
directly in the momentum equation, this can create a feedback loop that results in increasing spikes in
the Reynolds stresses that are unphysical and can even cause the solver to diverge. The solution to this
problem turned out to be to compute two sets of Reynolds stresses with the EARSM, those with and
without the curvature term in Equation 2.132 (p. 102). The Reynolds stresses without the curvature term
are used in the momentum equations, while the Reynolds stresses with the curvature term are used in
the assembly of the production term in the and (or ) equations. Consequently, the change in
turbulence production due to curvature is still captured, however the feedback loop that caused the
spikes in the Reynolds stresses is avoided because the curvature term does not enter directly into the
momentum equations. There is probably some loss in accuracy due to this treatment. However this is
preferable to a model, which is not robust and cannot be used in industrial applications. The constant
in Equation 2.132 (p. 102). has been calibrated to a value of -0.4.
The Gamma Theta Model, like all other engineering transition models, is only valid for wall boundary layer
flows. It cannot be applied to free shear flow transition. The model will predict free shear flows as fully tur-
bulent.
Due to the specific formulation of the Gamma Theta equation, only classical boundary layers with a defined
freestream region can be handled. This means that the model is not applicable to situations such as pipe
or channel flow.
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The model is currently not linked to the buoyancy production terms because buoyancy driven flows are
outside the calibration space of the model. Therefore the model should not be used in conjunction with
non-zero buoyancy forces.
The model is not Galilean invariant. This means it is only valid with respect to walls that are not moving rel-
ative to the coordinate system.
It should be noted that a few changes have been made to this model compared to original version
(that is, the CFX-5.7 formulation, [101],[102]) in order to improve the transition predictions. These include:
1. An improved transition onset correlation that results in improved predictions for both natural and bypass
transition.
2. A modification to the separation induced transition modification that prevents it from causing early
transition near the separation point.
3. Some adjustments of the model coefficients in order to better account for flow history effects on the
transition onset location.
You should use the new formulation [103], although the original version of the transition model (that
is, the CFX-5.7 formulation) can be recovered by specifying the optional parameter Transition
Model Revision = 0 in the CCL in the following way:
FLUID MODELS:
TURBULENCE MODEL:
Option = SST
TRANSITIONAL TURBULENCE:
Option = Gamma Theta Model
Transition Model Revision = 0
TRANSITION ONSET CORRELATION:
Option = Langtry Menter
END
END
END
END
In order to capture the laminar and transitional boundary layers correctly, the mesh must have a of
approximately one. If the is too large (that is, > 5) then the transition onset location moves upstream
with increasing . You should use the High Resolution discretization scheme (which is a bounded
second-order upwind biased discretization) for the mean flow, turbulence and transition equations.
Note
The default production limiter for the turbulence equations is the Kato-Launder formulation
when the transition model is used.
As outlined in CFX Transition Model in the CFX-Solver Modeling Guide, two reduced variants of the
transition model are available besides the two-equation Gamma Theta transition model:
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ANSYS CFX Transition Models
(2.136)
where is the strain rate magnitude. is an empirical correlation that controls the length of the
transition region. The destruction/relaminarization sources are defined as follows:
(2.138)
where is the magnitude of vorticity rate. The transition onset is controlled by the following functions:
(2.139)
(2.140)
(2.141)
is the critical Reynolds number where the intermittency first starts to increase in the boundary
layer. This occurs upstream of the transition Reynolds number, , and the difference between the
two must be obtained from an empirical correlation. Both the and correlations are functions
of .
(2.142)
The boundary condition for at a wall is zero normal flux while for an inlet is equal to 1.0.
The transport equation for the transition momentum thickness Reynolds number, , reads:
(2.143)
(2.144)
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(2.145)
(2.146)
(2.147)
The boundary condition for at a wall is zero flux. The boundary condition for at an inlet should
be calculated from the empirical correlation based on the inlet turbulence intensity.
The model contains three empirical correlations. is the transition onset as observed in experiments.
This has been modified from Menter et al. [101] in order to improve the predictions for natural transition
and is defined as follows:
Parameters entering the empirical correlations for are the local turbulence intensity, , and the
Thwaites pressure gradient coefficient, , defined as:
(2.149)
is used in Equation 2.144 (p. 105). is the length of the transition zone and goes into Equa-
tion 2.137 (p. 105). The correlation for is a function of and is defined as:
(2.150)
A modification to is used in order to avoid a sharp increase in the skin friction in the boundary
layer shortly after transition:
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ANSYS CFX Transition Models
is the point where the model is activated in order to match both and ; it goes into
Equation 2.140 (p. 105). The correlation between and is defined as follows:
(2.151)
can be thought of as the location where turbulence starts to grow while is the location where
the velocity profile first starts to deviate from the purely laminar profile.
(2.152)
The model constants in Equation 2.152 (p. 107) have been adjusted from those of Menter et al. [101] in
order to improve the predictions of separated flow transition. The main difference is that the constant
that controls the relation between and was changed from 2.193, its value for a Blasius
boundary layer, to 3.235, the value at a separation point where the shape factor is 3.5 (see, for example
Figure 2 in Menter et al. [101]).
(2.153)
(2.154)
(2.155)
where and are the original production and destruction terms for the SST model and is the
original SST blending function. Note that the production term in the -equation is not modified. The
rationale behind the above model formulation is given in detail in Menter et al. [101].
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2.4.2.1. Overview
The (intermittency) transition model [224] is a further development based on the - transition
model. The transition model solves only one transport equation for the turbulence intermittency
and avoids the need for the second equation of the - transition model. The transition
model has the following advantages over the - transition model:
It reduces the computational effort by solving one transport equation instead of two.
It avoids the dependency of the equation on the speed . This makes the transition model Galilean
invariant. It can therefore be applied to surfaces that move relative to the coordinate system for which the
velocity field is computed.
The model has provisions for crossflow instability that are not available for the - or - transition
model.
The model formulation is simple and can be fine-tuned based on a small number of user parameters.
Like the - transition model, the transition model is based strictly on local variables. The
transition model is also only available in combination with the following turbulence models:
BSL - model
SST - model
The transition model is only applicable to wall-bounded flows. Like all other engineering transition models,
the model is not applicable to transition in free shear flows. The model will predict free shear flows as being
fully turbulent.
The transition model has only been calibrated for classical boundary layer flows. Application to other types
of wall-bounded flows is possible, but might require a modification of the underlying correlations.
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ANSYS CFX Transition Models
The transition model has not be calibrated in combination with other physical effects that affect the source
terms of the turbulence model, such as:
Buoyancy
Multiphase turbulence
Guidelines on the use of the Intermittency transition model are similar to those developed for the -
model as outlined in CFX Transition Model in the CFX-Solver Modeling Guide.
The formulation of the source terms is similar in nature to the corresponding terms in the -
transition model. The transition source term is defined as:
where is the magnitude of the absolute vorticity rate. The transition onset is controlled by the following
functions:
(2.156)
where is the wall distance and is a correlation used to trigger the transition model:
In this correlation, is the critical momentum thickness Reynolds number, and and are
locally defined variables that approximate the freestream turbulence intensity and the pressure gradient
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Turbulence and Wall Function Theory
parameter, respectively. A local formulation that provides levels in the middle of the boundary
layer similar to the freestream turbulence intensity, , is expressed as:
(2.157)
The function accounts for the influence of the pressure gradient on transition, and is defined as:
The transition model has been calibrated against a wide range of generic as well as turbomachinery
and external aeronautical test cases. While you should not have to adjust the model coefficients in most
situations, the model provides access to the coefficients so that you can fine-tune the model. This should
only be done based on detailed experimental data. You can adjust the following constants in the cor-
relations: , , , , , , , , , .
The constant defines the minimal value of critical number, whereas the sum of and
defines the maximal value of . The controls how fast the decreases as the turbulence
intensity ( ) increases. The and constants adjust the value of critical number in areas
with favorable and adverse pressure gradient, respectively. The constant becomes active in regions
with separation, correcting the value if necessary. Additionally, the size of the separation bubble
can be tuned by another constant, , which enters the model through the source terms directly
rather than the correlations (see Coupling to SST Model (p. 112)). The constants and define
the limits of the function; while they typically do not need to be adjusted, it is possible to do so
(for details, contact your support engineer).
For crossflow transition, a widely used experimental correlation is the C1 correlation proposed by Arnal
(1984) [223]. According to that correlation, transition occurs when the following condition is met:
where
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In the previous equations, is the crossflow Reynolds number, the index refers to a coordinate
system that is aligned with the freestream velocity (where refers to the boundary layer edge),
is the crossflow velocity normal to the direction of the freestream velocity. The value of 150 is the
calibration constant of the Arnal C1 criterion corresponding to a critical Reynolds number.
The transition model accounts for the crossflow transition through a separate correlation, which ap-
proximates the C1 correlation through a local formulation. The formulation uses only local information
and has the following functional form:
The function accounts for the influence of pressure gradient (shape factor); the function accounts
for the ratio of the crossflow strength relative to the streamwise strength; the Reynolds number effect
is included through . The correlation can be adjusted by the constant . The transition location
due to the crossflow instability will move upstream as increases.
where is a local variable used to approximate the pressure gradient parameter and is defined
similarly to (see Equation 2.157 (p. 110) and Equation 2.158 (p. 110)):
The crossflow indicator function is a non-dimensional measure of the local crossflow strength relative
to the streamwise strength. It is computed based on the wall normal change of the normalized vorticity
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vector , which serves as a measure of the three-dimensionality of the velocity profile and which be-
comes zero for 2D flow.
The indicator function is proportional to the local change of the flow angle and therefore a measure
of the overall crossflow strength.
The triggering function that accounts for the crossflow effects is defined as follows:
The source term in the equation is then triggered, either by the primary triggering function
(see Equation 2.156 (p. 109)) of the Intermittency transition model, or by : whichever has a
maximal value.
The default values for the model constants are the following:
where and are the production and destruction terms from the turbulent kinetic energy equation
in the original SST turbulence model. The term is computed using Kato-Launder formulation:
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Large Eddy Simulation Theory
An additional production term, , has been introduced into the -equation to ensure proper gener-
ation of at transition points for arbitrarily low (down to zero) levels. The additional term is designed
to turn itself off when the transition process is completed and the boundary layer has reached the fully
turbulent state. The expression for the reads as:
The constants and are adjustable. When the laminar boundary layer separates, the size of the
separation bubble can be controlled by changing the constant . The default value of the constant
is set to 1.0; a higher value results in a shorter bubble. This mechanism is different from the one used
for the - model, where the effective intermittency, , is allowed to exceed 1.0 whenever the
laminar boundary layer separates. It should be noted however, that the constant has an effect
only for the bubbles developing under low conditions (<0.5%). It might also slightly affect the length
of transition in attached boundary layers under very low freestream turbulence intensity.
The rationale behind the large-eddy simulation technique is a separation between large and small scales.
The governing equations for LES are obtained by filtering the time-dependent Navier-Stokes equations
in the physical space. The filtering process effectively filters out the eddies whose scales are smaller
than the filter width or mesh spacing used in the computations. The resulting equations thus govern
the dynamics of the large eddies.
(2.159)
where is the fluid domain, and is the filter function that determines the scale of the resolved eddies.
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The discretization of the spatial domain into finite control volumes implicitly provides the filtering op-
eration:
where is the control volume. The filter function implied here is then
(2.162)
Filtering the Navier-Stokes equations leads to additional unknown quantities. The filtered momentum
equation can be written in the following way:
where denotes the subgrid-scale stress. It includes the effect of the small scales and is defined by
(2.163)
The large scale turbulent flow is solved directly and the influence of the small scales is taken into account
by appropriate subgrid-scale (SGS) models. In ANSYS CFX an eddy viscosity approach is used that relates
the subgrid-scale stresses to the large-scale strain rate tensor in the following way:
(2.164)
Unlike in RANS modeling, where the eddy viscosity represents all turbulent scales, the subgrid-scale
viscosity only represents the small scales.
It should be noted that the isotropic part of is not modeled, but added to the filtered static pressure.
Three models are available to provide the subgrid-scale (SGS) viscosity . You should use the wall-
adapted local eddy-viscosity model by Nicoud and Ducros [200](LES WALE model) as a first choice. This
is an algebraic model like the Smagorinsky model, but overcomes some known deficiencies of the
Smagorinsky model: the WALE model produces almost no eddy-viscosity in wall-bounded laminar flows
and is therefore capable to reproduce the laminar to turbulent transition. Furthermore, the WALE
model has been designed to return the correct wall-asymptotic -variation of the SGS viscosity and
needs no damping functions.
In addition to the WALE model, the Smagorinsky model [34] and the Dynamic Smagorinsky-Lilly model
(Germano et al. [198], Lilly [199]) are available. The Dynamic Smagorinsky-Lilly model is based on the
Germano-identity and uses information contained in the resolved turbulent velocity field to evaluate
the model coefficient, in order to overcome the deficiencies of the Smagorinsky model. The model
coefficient is no longer a constant value and adjusts automatically to the flow type. However this
method needs explicit (secondary) filtering and is therefore more time consuming than an algebraic
model.
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Large Eddy Simulation Theory
where is the length scale of the unresolved motion (usually the mesh size ) and is
the velocity of the unresolved motion.
Based on an analogy to the Prandtl mixing length model, the velocity scale is related to the gradients
of the filtered velocity:
(2.166)
This yields the Smagorinsky model [34] for the subgrid-scale (SGS) viscosity:
(2.167)
with the Smagorinsky constant. The value of the Smagorinsky constant for isotropic turbulence with
inertial range spectrum:
(2.168)
is:
(2.169)
For practical calculations, the value of is changed depending on the type of flow and mesh resolution.
Its value is found to vary between a value of 0.065 (channel flows) and 0.25. Often a value of 0.1 is used
and has been found to yield the best results for a wide range of flows. This is also the default value of
.
The coefficient is, therefore, not a universal constant and this is the most serious shortcoming of
this model. Furthermore, damping functions are needed close to walls.
(2.170)
with:
(2.171)
C S and are constants which you can set; their default values are 0.1 and 0.4 respectively.
By default, the damping function is 1.0. A Van Driest and a Piomelli like damping can be specified
by the user. For the Van Driest case, the damping function is:
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(2.172)
is defined as a function of the calculated wall distance , kinematic viscosity , and local velocity scale
.
The Van Driest or Piomelli wall damping can be switched on when the LES turbulence model is selected.
The damping factor A is defaulted to 25.0.
(2.175)
where denotes the traceless symmetric part of the square of the velocity gradient tensor:
(2.176)
and where , and is the Kronecker symbol. The tensor can be rewritten in
terms of the strain-rate and vorticity tensors in the following way:
(2.177)
(2.178)
The main advantages of the WALE model are the capability to reproduce the laminar to turbulent
transition and the design of the model to return the correct wall-asymptotic -variation of the SGS
viscosity. It offers therefore the same advantages as the Dynamic Smagorinsky-Lilly model, and at the
same time does not require an explicit (secondary) filtering. The constant has been calibrated using
freely decaying isotropic homogeneous turbulence: the default value is 0.5 and is available in CFX-Pre.
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Large Eddy Simulation Theory
the use of an explicit filtering procedure. Because it is required that the filter works on unstructured
meshes, a volume-weighted averaging of the variables from neighboring element centers to the corres-
ponding vertex is used.
where represents the subgrid-scale (SGS) stress at scale and the SGS stress at scale { }:
(2.180)
(2.181)
and {} denotes secondary filtering of a quantity with . The stress formulated by turbulent
motions of scale intermediate between and { } reads:
(2.182)
Although the Germano procedure can be applied with any SGS model, the Smagorinsky model has
been used to compute the SGS stresses at the different filtering levels:
(2.183)
(2.184)
The resulting system of Equation 2.185 (p. 117) is over-determined and the coefficient appears inside
the secondary filter operation. In order to solve this system of equations, the error associated with
the Smagorinsky model is defined in the following way:
(2.186)
Lilly [199] applied a least square approach to minimize the error. The coefficient is taken out of the
filtering procedure. This leads to
(2.187)
(2.188)
The model coefficient obtained using the dynamic Smagorinsky-Lilly model varies in time and space
over a fairly wide range. To avoid numerical instability, a relaxation of in time is applied and an upper
and lower limit on the coefficient is imposed in the following way:
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2. Upper bound:
(2.191)
3. Relaxation in time:
(2.192)
Freely decaying isotropic homogeneous turbulence has again been used to calibrate . The value
of should be in the range of 0.04 to 0.09. The default value is 0.04 and can be specified in CFX-
Pre.
Note
Density fluctuations are not accounted for in the current subgrid turbulence formulation as
they scale with the subgrid Mach number, which is small. For flows with strong density
variations, buoyancy effects are captured by the resolved large scales and not modeled for
the subgrid scales.
Experience has shown that the use of LES in boundary layer flows at high Re numbers is prohibitively
expensive [57] and therefore not useful for many industrial flow simulations. On the other hand, turbulent
structures can be resolved in massively separated regions, where the large turbulent scales are of the
same dimension as the geometrical structure generating them (airfoil flaps, buildings, blunt trailing
edges on turbine blades). DES is an attempt to combine elements of RANS and LES formulations in order
to arrive at a hybrid formulation, where RANS is used inside attached and mildly separated boundary
layers. Additionally, LES is applied in massively separated regions. While this approach offers many ad-
vantages, it is clearly not without problems, as the model has to identify the different regions automat-
ically. DES models require a detailed understanding of the method and the mesh generation requirements
and should not be used as black-box. You are advised to read the ANSYS CFX technical report [55]
on the subject, which explains all details on mesh generation requirements, zonal formulation and
boundary conditions.
The ANSYS CFX version of the DES model is based on the SST formulation. The advantage of this com-
bination is that the accurate prediction of turbulent boundary layers up to separation and in mildly
separated regions carries over from the SST model. In addition, the SST model supports the formulation
of a zonal DES formulation [56], which is less sensitive to mesh resolution restrictions than the standard
DES formulation, as proposed by Strelets [58]. Refer to the ANSYS CFX technical report [55] for details.
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Detached Eddy Simulation Theory
spacing. In this case, the length scale used in the computation of the dissipation rate in the equation
for the turbulent kinetic energy is replaced by the local mesh spacing, .
(2.193)
The practical reason for choosing the maximum edge length in the DES formulation is that the model
should return the RANS formulation in attached boundary layers. The maximum edge length is therefore
the safest estimate to ensure that demand.
The DES modification of Strelets can be formulated as a multiplier to the destruction term in the k-
equation:
(2.194)
with CDES equal to 0.61, as the limiter should only be active in the model region. The numerical
formulation is also switched between an upwind biased and a central difference scheme in the RANS
and DES regions respectively.
Note
The main practical problem with the DES formulation (both for the Spalart Allmaras and the standard
SST-DES model) is that there is no mechanism for preventing the limiter from becoming active in the
attached portion of the boundary layer. This will happen in regions where the is less than the
boundary layer thickness. In this case, the flow can separate as a result of the mesh spacing (mesh-in-
duced separation), which is undesirable. The DES formulations reduce the impact of the DES term inside
the boundary layer. This is achieved by function , which protects the boundary layer. For , the
original SST model is recovered; for , the original DES model is utilized.
(2.195)
There are several historic formulations for the function . Originally, the and blending
functions of the SST model were used [56]. Later, a specifically tuned function termed was added
[226].
(2.196)
is superseded by the Shielded DES function (SDES). The function offers essentially asymp-
totic shielding under mesh refinement and is recommended (and also set as the default). This function
is unpublished and proprietary to ANSYS.
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In addition, the SDES model features an alternative definition of the mesh length scale:
(2.197)
where is the volume of the cell and is its maximum edge length. Finally, for SDES, the model
coefficient is reduced to . Both of these changes result in much reduced eddy viscosity levels
in detached shear layers and quicker transition from RANS to LES.
Figure 2.2: Eddy viscosity profiles for DDES and SDES models under mesh refinement (p. 120) shows the
effect of improved shielding on boundary layer flows. The parameter is the local ratio of grid spacing,
, to boundary layer thickness, . The grid spacing is for the DDES model and for the SDES
model. Note, in the figure, that the range of is much wider for SDES. Nevertheless, the SDES model
is able to preserve the RANS model eddy viscosity whereas the DDES model deteriorates for values of
.
Figure 2.2: Eddy viscosity profiles for DDES and SDES models under mesh refinement
The shielding function developed can be used in the following way for achieving a blending on the
stress level between RANS and LES formulations:
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Detached Eddy Simulation Theory
(2.198)
where is the RANS portion and is the LES portion of the modeled stress tensor. In cases
where both models are based on eddy viscosity concepts, the formulation simplifies to:
(2.199)
Such a formulation is only feasible due to the strength of the shielding properties of the shielding
function (as described in the previous section).
The main advantage of the SBES model is that it allows you to use a given LES model in the LES portion
of the flow, instead of relying on the LES capability of DES-like models. You can also use it to visualize
the regions where RANS and LES models are used, in order to check the consistency of your setup. Finally,
the SBES model allows you to have a rapid transition from RANS to LES in separating shear layers.
clearly distinguish between the RANS and the LES regions based on the function
use a rapid transition from RANS to LES in separating shear layers, due to the low stress levels enforced
by the LES model
2.6.3.2. Example
The following example illustrates the application of the SDES and SBES models to a jet emanating from
a nozzle. Figure 2.3: The Computational Domain and Mesh for the Subsonic Jet Flow (p. 121) shows the
geometry and mesh. The round jet flow has been experimentally investigated by Viswanathan [225] at
a Mach number of =0.9 and at a Reynolds number of =1.3 x 106, based on the jet diameter
and on the bulk velocity at the nozzle exit . The computational mesh consisted of 4.1 x 106 hexahedral
cells.
Figure 2.3: The Computational Domain and Mesh for the Subsonic Jet Flow
Figure 2.4: Iso-Surfaces of the Q-Criterion Colored with the Velocity Magnitude (p. 122) shows the turbu-
lence structures developing with the different models. The main goal of the hybrid RANS-LES model is
to transition as quickly as possible from the steady RANS mode into the scale resolving three-dimen-
sional LES mode.
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As seen from Figure 2.4: Iso-Surfaces of the Q-Criterion Colored with the Velocity Magnitude (p. 122),
SBES and SDES provide a relatively rapid transition from the two-dimensional RANS to three-dimensional
LES structures. The fastest transition is achieved by the SBES formulation, followed by SDES. DDES yields
almost axisymmetric structures, which prevail for a noticeably longer distance from the nozzle.
Figure 2.4: Iso-Surfaces of the Q-Criterion Colored with the Velocity Magnitude
Figure 2.5: Distribution of the Mean (Left) and RMS (Right) Velocity along the Jet Centerline (p. 122)
shows the comparison with experimental data. The left plot shows the mean axial velocity along the
centerline of the jet; the right plot shows the corresponding streamwise RMS fluctuations. It is clear
from both comparisons that the agreement with the data improves with the models ability to quickly
switch into LES mode.
Figure 2.5: Distribution of the Mean (Left) and RMS (Right) Velocity along the Jet Centerline
(2.200)
where is the control volume value, the index denotes the integration points on the control
volume faces, and are the mass flow and the transported variable value estimated at the integ-
ration point . The value of is obtained by interpolating from the surrounding mesh nodes according
to the selected discretization scheme. Blending between the upwind-biased scheme and the central
scheme is achieved by combining the corresponding interpolation values and using the
blending function :
(2.201)
A specific form of the blending function is taken from Strelets [58] with only minor changes:
(2.202)
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Detached Eddy Simulation Theory
(2.203)
(2.204)
with being the maximum neighboring mesh edge, and the same constant values as in Strelets
[58]:
(2.205)
Note
For the SST-DES model, the blending function is additionally limited in order to prevent
the mesh-induced separation:
(2.206)
where F1 and F2 are the first and second SST blending function and ([129]), respectively. BF1 and
BF2 are blend factors and are used in order to select one of the two blending functions. The default
and the recommendation is to use the second SST blending function F2, therefore the corresponding
default values are BF1 = 0 and BF2 = 1.
A limiter based on the Courant-number has been developed in order to avoid oscillations due to the
central difference scheme, which can occur for medium and high Courant-numbers (this limiter is not
given in the original formulation of Strelets [58]). The blending function is limited in the following
way:
(2.207)
The blending function, , is available in CFD-Post and allows you to distinguish between the regions
in the flow where the advection-scheme is user-specified (upwind-biased) or the central difference
scheme is used. The corresponding variable name in CFD-Post is Blending Function for DES
model.
According to Equation 2.201 (p. 122), the value of the variable is 1 to denote the user-specified advection
scheme and 0 for the central difference scheme. Therefore, a value of 1 typically denotes the RANS region
using an upwind-biased scheme and a value of 0 denotes the LES region using the central-difference
scheme. However, if the choice of the user-specified advection scheme is central difference, then the
Blending Function for DES model returns a value of 1 everywhere.
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not known. In DES simulations, it is in most cases possible to specify the same boundary conditions as
for the SST model. This is particularly true if the default setting of the zonal model are used ([55]).
In recent years the turbulent length-scale equation has been revisited by Menter and Egorov [130]. It
was shown that the exact transport equation for the turbulent length-scale, as derived by Rotta [134],
does actually introduce the second derivative of the velocity field and thereby into the turbulent
scale equation. In Menter and Egorov [130], a two-equation turbulence model was presented using a
formulation, which can be operated in RANS and SAS mode. While the further development of
this model is still ongoing, it was considered desirable to investigate if the SAS term in the model
could be transformed to existing two-equation models. The target two-equation model is the SST
model and this leads to the formulation of the SST-SAS model.
The original version of the SST-SAS model (Menter and Egorov [131]) has undergone certain evolution
and the latest model version has been presented in Egorov and Menter [197]. One model change is the
use of the quadratic length scale ratio in the Equation 2.210 (p. 124) below, rather than the
linear form of the original model version. The use of the quadratic length scale ratio is more consistent
with the derivation of the model and no major differences to the original model version are expected.
Another new model aspect is the explicitly calibrated high wave number damping to satisfy the require-
ment for an SAS model that a proper damping of the resolved turbulence at the high wave number
end of the spectrum (resolution limit of the mesh) must be provided. In the following the latest model
version of the SST-SAS model (Egorov and Menter [197]) will be discussed, which is also the default
version in ANSYS CFX.
The governing equations of the SST-SAS model differ from those of the SST RANS model [129] by the
additional SAS source term in the transport equation for the turbulence eddy frequency :
(2.208)
(2.209)
The additional source term reads for the latest model version Egorov and Menter [197]:
(2.210)
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Scale-Adaptive Simulation Theory
in Rottas transport equation for the correlation-based length scale, see Menter and Egorov [130]. Because
the integral is zero in homogeneous turbulence, it should in general be proportional to a measure related
to inhomogeneity. The second velocity derivative was selected as this measure to ensure that the
integral alone is modeled to zero at a constant shear rate, thus leading to and ultimately to
in the SAS source term (Equation 2.210 (p. 124)).
This model version (Egorov and Menter [197], Model Version=2007) is used as default. In order to
recover the original model formulation (Menter and Egorov [131]), the parameter Model Version
must be set to 2005 directly in the CCL:
FLUID MODELS:
...
TURBULENCE MODEL:
Model Version = 2005
Option = SAS SST
END
...
END
The model parameters in the SAS source term Equation 2.210 (p. 124) are
(2.212)
The first velocity derivative is represented in by , which is a scalar invariant of the strain
rate tensor :
(2.213)
Note, that the same also directly participates in (Equation 2.210 (p. 124)) and in the turbulence
production term .
The second velocity derivative is generalized to 3D using the magnitude of the velocity Laplacian:
(2.214)
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As a result, and are both equal to ( ) in the logarithmic part of the boundary layer, where =0.41
is the von Karman constant.
Beside the use of the quadratic length scale ratio , the latest model version provides for the
direct control of the high wave number damping. Two formulations are available:
1. The first formulation is the default and is realized by a lower constraint on the value in the following
way:
(2.215)
This limiter is proportional to the mesh cell size , which is calculated as the cubic root of the
control volume size . The purpose of this limiter is to control damping of the finest resolved
turbulent fluctuations. The structure of the limiter is derived from analyzing the equilibrium eddy
viscosity of the SST-SAS model. Assuming the source term equilibrium (balance between production
and destruction of the kinetic energy of turbulence) in both transport equations, one can derive the
following relation between the equilibrium eddy viscosity , and :
(2.216)
This formula has a similar structure as the subgrid scale eddy viscosity in the LES model by
Smagorinsky:
Therefore it is natural to adopt the Smagorinsky LES model as a reference, when formulating the
high wave number damping limiter for the SST-SAS model. The limiter, imposed on the value,
must prevent the SAS eddy viscosity from decreasing below the LES subgrid-scale eddy viscosity:
(2.217)
Substitution of and in condition above (Equation 2.217 (p. 126)) results in the limiter
value used in Equation 2.215 (p. 126). Similar to LES, the high wave number damping is a cumulative
effect of the numerical dissipation and the SGS eddy viscosity. The model parameter has been
calibrated using decaying isotropic turbulence. The default value of is 0.11, which provides nearly
the same energy spectrum as the Smagorinsky LES model.
The LES-WALE model is used for the calculation of the LES eddy viscosity because this model
is suitable for transitional flows and does not need wall damping functions. This limiter can be turned
on by setting the expert parameter limit sas eddy viscosity = t. The limiter (Equa-
tion 2.215 (p. 126) is then automatically turned off. The default value for the WALE model coefficient
is 0.5 and can be specified by the expert parameter limit sas eddy viscosity coef=0.5.
Similar to the DES formulation, the SAS model also benefits from a switch in the numerical treatment
between the steady and the unsteady regions. In DES, this is achieved by a blending function as proposed
by Strelets [58], which allows the use of a second order upwind scheme with the CFX-Solver in RANS
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Modeling Flow Near the Wall
regions and a second order central scheme in unsteady regions. The blending functions are based on
several parameters, including the mesh spacing and the ratio of vorticity and strain rate, as explained
below.
In the wall-function approach, the viscosity affected sublayer region is bridged by employing empirical
formulas to provide near-wall boundary conditions for the mean flow and turbulence transport equations.
These formulas connect the wall conditions (for example, the wall-shear-stress) to the dependent variables
at the near-wall mesh node, which is presumed to lie in the fully-turbulent region of the boundary
layer.
The logarithmic relation for the near wall velocity is given by:
(2.219)
where:
(2.220)
(2.221)
+
u is the near wall velocity, is the friction velocity, U t is the known velocity tangent to the wall at
a distance of from the wall, y + is the dimensionless distance from the wall, is the wall shear
stress, is the von Karman constant and C is a log-layer constant depending on wall roughness (natural
logarithms are used).
A definition of in the different wall formulations is available in Solver Yplus and Yplus (p. 129).
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Turbulence and Wall Function Theory
This scale has the useful property that it does not go to zero if U t goes to zero. Based on this definition,
the following explicit equation for can be obtained:
(2.223)
The absolute value of the wall shear stress , is then obtained from:
(2.224)
where:
(2.225)
One of the major drawbacks of the wall-function approach is that the predictions depend on the location
of the point nearest to the wall and are sensitive to the near-wall meshing; refining the mesh does not
necessarily give a unique solution of increasing accuracy (Grotjans and Menter [10]). The problem of
inconsistencies in the wall-function, in the case of fine meshes, can be overcome with the use of the
Scalable Wall Function formulation developed by ANSYS CFX. It can be applied on arbitrarily fine
meshes and allows you to perform a consistent mesh refinement independent of the Reynolds number
of the application.
The basic idea behind the scalable wall-function approach is to limit the y * value used in the logarithmic
formulation by a lower value of where 11.06 is the value of y * at the intersection
between the logarithmic and the linear near wall profile. The computed is therefore not allowed to
fall below this limit. Therefore, all mesh points are outside the viscous sublayer and all fine mesh incon-
sistencies are avoided.
The boundary condition for the dissipation rate, , is then given by the following relation, which is
valid in the logarithmic region:
(2.226)
To fully resolve the boundary layer, you should put at least 10 nodes into the boundary layer.
Do not use Standard Wall Functions unless required for backwards compatibility.
The upper limit for y + is a function of the device Reynolds number. For example, a large ship may have a
Reynolds number of 109 and y + can safely go to values much greater than 1000. For lower Reynolds numbers
(for example, a small pump), the entire boundary layer might only extend to around y + = 300. In this case,
a fine near wall spacing is required to ensure a sufficient number of nodes in the boundary layer.
If the results deviate greatly from these ranges, the mesh at the designated Wall boundaries will require
modification, unless wall shear stress and heat transfer are not important in the simulation.
In most turbulent flows the turbulence kinetic energy is not completely zero and the definition for
given in Equation 2.222 (p. 127) will give proper results for most cases. In flows with low free stream
turbulence intensity, however, the turbulence kinetic energy can be very small and lead to vanishing
and therefore also to vanishing wall shear stress, If this situation happens, a lower limiter can be
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Modeling Flow Near the Wall
applied to by setting the expert parameter ustar limiter = t. will then be calculated
using the following relation:
(2.227)
The coefficient used in this relation can be changed by setting the expert parameter ustar limiter
coef . The default value of this parameter is 0.01.
(2.228)
where is the distance between the first and second mesh points off the wall.
In addition, a second variable, Solver Yplus, is available and contains the used in the logarithmic
profile by the solver. It depends on the type of wall treatment used, which can be one of three different
treatments in ANSYS CFX. They are based on different distance definitions and velocity scales. This has
partly historic reasons, but is mainly motivated by the desire to achieve an optimum performance in
terms of accuracy and robustness:
+
The scalable wall function y is defined as:
(2.229)
Note that both the scalable wall function and the automatic wall treatment can be run on arbitrarily
fine meshes.
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The automatic wall treatment allows a consistent y + insensitive mesh refinement from coarse meshes,
which do not resolve the viscous sublayer, to fine meshes placing mesh points inside the viscous sub-
+
layer. Note that for highly accurate simulations, like heat transfer predictions, a fine mesh with y
around 1 is recommended.
The flux for the k-equation is artificially kept to be zero and the flux in the momentum equation is
computed from the velocity profile. The equations are as follows:
with:
(2.231)
(2.232)
where
and
In the -equation, an algebraic expression is specified instead of an added flux. It is a blend between
the analytical expression for in the logarithmic region:
(2.234)
(2.235)
with being the distance between the first and the second mesh point. In order to achieve a smooth
blending and to avoid cyclic convergence behavior, the following formulation is selected:
(2.236)
While in the wall-function formulation, the first point is treated as being outside the edge of the viscous
sublayer; in the low-Re mode, the location of the first mesh point is virtually moved down through the
viscous sublayer as the mesh is refined. Note that the physical location of the first mesh point is always
at the wall (y = 0). However, the first mesh point is treated as if it were y away from the wall. The
error in the wall-function formulation results from this virtual shift, which amounts to a reduction in
displacement thickness. Also, at very low Reynolds numbers this shift becomes visible when the solution
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Modeling Flow Near the Wall
is compared with a laminar calculation, because the shift is not needed in the laminar near wall treatment.
This error is always present in the wall-function model. The shift is based on the distance between the
first and the second mesh point y = y 2 - y 1 with y being the wall normal distance.
Wall roughness increases the wall shear stress and breaks up the viscous sublayer in turbulent flows.
The figure below (Figure 2.6: Downward Shift of the Logarithmic Velocity Profile (p. 131)) shows the
downward shift in the logarithmic velocity profile:
(2.237)
where B=5.2. The shift is a function of the dimensionless roughness height, , defined as .
It has been shown that a technical roughness, which has peaks and valleys of different shape and size,
can be described by an equivalent sand-grain roughness ([113], [77]). The corresponding picture is a
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Turbulence and Wall Function Theory
wall with a layer of closely packed spheres, which have an average roughness height (see Fig-
ure 2.7: Equivalent Sand-Grain Roughness (p. 132)):
Guidance to determine the appropriate equivalent sand-grain roughness height can be obtained from
White [14], Schlichting [77] and Coleman et al. [193].
Depending on the dimensionless sand-grain roughness , three roughness regimes can be distinguished:
transitional-roughness regime:
The viscous sublayer is fully established near hydraulically smooth walls. In the transitional roughness
regime the roughness elements are slightly thicker than the viscous sublayer and start to disturb it, so
that in fully rough flows the sublayer is destroyed and viscous effects become negligible.
From the picture of the sand-grain roughness (note that Figure 2.7: Equivalent Sand-Grain Rough-
ness (p. 132) shows a two-dimensional cut of a three-dimensional arrangement), it can be assumed that
the roughness has a blockage effect, which is about 50% of its height. The idea is to place the wall
physically at 50% height of the roughness elements:
(2.239)
This gives about the correct displacement caused by the surface roughness.
2.8.1.4.1. Rough Wall Treatment for Turbulence Models Based on the Dissipation Equation
The Scalable Wall Function approach neglects the viscous sublayer and limits the value used in the
logarithmic formulation by a lower value of (Equation 2.229 (p. 129)). This limiter
must be combined with the formulation Equation 2.239 (p. 132) for the rough wall treatment and reads:
(2.240)
2.8.1.4.2. Automatic Rough Wall Treatment for Turbulence Models Based on the Omega
Equation
The automatic wall treatment works well for smooth walls and has been extended for rough walls.
However, any calibration of the model coefficients has to be performed for both and and is
therefore more complex than for smooth walls. As outlined above, the viscous sublayer gets more and
more disturbed with increasing values of until it is destroyed in fully rough flows. Therefore, a
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Modeling Flow Near the Wall
blending between the viscous sublayer and the logarithmic region is not physical for large values of
. This fact supports the idea of placing the wall physically at 50% height of the roughness elements.
Due to this shift, the viscous sublayer formulation has only an influence for small values of in the
automatic near wall treatment for rough walls. The blending between the viscous sublayer formulation
and the wall function is described in detail in the report Lechner and Menter [194].
Because the automatic wall treatment works together with the transition model, it is the default rough
wall treatment. This default Automatic setting for the Wall Function option can be set on the Fluid
Models tab of the Domain details view in CFX-Pre. The CFX-Solver checks internally if a roughness
height has been specified for a wall and then uses the proper wall treatment: when a roughness height
exists, then the automatic rough wall treatment is used, otherwise the automatic smooth wall treatment.
where the function depends on the geometric roughness height . This function is proprietary and
therefore not given in this documentation. is then used in the correlations for and
(Equation 2.150 (p. 106) and Equation 2.151 (p. 107)) instead of , which represents the transition
momentum thickness Reynolds number (for details, see ANSYS CFX Transition Models (p. 103)). In other
words the roughness effect is taken into account by using a modified transition momentum thickness
Reynolds number in the correlations for and .
Consequently the shift in Equation 2.239 (p. 132) was redefined as the minimum of either the geometric
roughness height or the sand grain roughness height as follows:
(2.242)
The fact that the viscous sublayer is lost very quickly with increasing suggests to neglect the viscous
sublayer in the formulation of a near wall treatment for rough walls and leads to a second rough wall
treatment for -based turbulence models. It should only be used if you know that the influence of the
viscous sublayer can be neglected ( > 70) and if the flow is fully turbulent. It can only be enabled by
extracting the CCL and changing the Wall Function from Automatic to Scalable.
Then scalable wall functions are used both for smooth and rough walls for the -based turbulence
models. The idea is comparable to the scalable wall function approach for the model, where the
first mesh point is shifted to the edge of the viscous sublayer and only the relations of the logarithmic
region are used to derive the boundary conditions. In order to avoid a negative logarithm in the logar-
ithmic law of the wall, a lower value of 11.06 is defined in the following manner:
(2.243)
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where .
It should be noted that this value is smaller than the lower limit in the scalable wall functions of the
model because for rough walls, the log layer extends to smaller values of . Because the scalable
wall function approach neglects the viscous sublayer, the diffusion coefficients in the Navier-Stokes and
turbulence transport equations must no longer be computed as the sum of the laminar and turbulent
viscosity. Instead the maximum value of the both is used. In the momentum equation for example the
effective viscosity will be computed as
(2.244)
Note that the logarithmic layer formulation is only correct if the molecular viscosity is not included in
the equations. This is ensured by the above formulation.
(2.245)
where T w is the temperature at the wall, T f the near-wall fluid temperature, c p the fluid heat capacity
and q w the heat flux at the wall. The above equation can be rearranged to get a simple form for the
wall heat flux model:
(2.246)
Turbulent fluid flow and heat transfer problems without conjugate heat transfer objects require the
specification of the wall heat flux, q w, or the wall temperature, T w. The energy balance for each
boundary control volume is completed by multiplying the wall heat flux by the surface area and adding
to the corresponding boundary control volume energy equation. If the wall temperature is specified,
the wall heat flux is computed from the equation above, multiplied by the surface area and added to
the boundary energy control volume equation.
where is defined in Equation 2.229 (p. 129) and is computed from Equation 2.249 (p. 135).
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Modeling Flow Near the Wall
where:
(2.249)
(2.250)
where
The coefficient has been calibrated using the experimental data of Pimenta et al. [195] for a flat plate
with heat transfer. The experiment was performed with air as fluid and it has been shown, that a value
of 0.2 is a good choice in this case (Lechner and Menter [194]). Therefore the default value of is 0.2.
This coefficient is called Energy Calibration Coefficient and can be changed in the CCL if necessary
in the following way:
FLUID MODELS:
...
TURBULENCE MODEL:
Option = SST
END
TURBULENT WALL FUNCTIONS:
Option = Automatic
Energy Calibration Coefficient = 0.2
END
...
END
If the wall function approach for -based turbulence models is used, two additional points have to be
considered.
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1. Similar to Equation 2.243 (p. 133) a lower limit for , which appears in the equation of , has been
introduced. A value of 11.06 was chosen as lower limit:
(2.253)
2. Because the scalable wall function approach neglects the viscous sublayer, the following relation is auto-
matically used to compute the effective conductivity :
(2.254)
It has been found that the incompressible law-of-the-wall is also applicable to compressible flows if the
velocity profile is transformed using a so-called "Van Driest transformation" [16]. The logarithmic velocity
profile is given by:
(2.255)
Near a solid wall, the integrated near-wall momentum equation reduces to:
(2.257)
Expressions for shear stress and heat flux applicable to the boundary layer region are:
(2.259)
and
(2.260)
If Equation 2.257 (p. 136), Equation 2.259 (p. 136) and Equation 2.260 (p. 136) are substituted into Equa-
tion 2.258 (p. 136) and integrated, the resulting equation is:
(2.261)
which provides a relationship between the temperature and velocity profiles. Using the perfect gas law,
and the fact that the pressure is constant across a boundary layer, Equation 2.261 (p. 136) replaces the
density ratio found in Equation 2.256 (p. 136). Performing the integration yields the following equation
for the compressible velocity:
(2.262)
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Modeling Flow Near the Wall
where:
(2.263)
(2.264)
(2.265)
The above derivation provides most of the equations necessary for the implementation of wall-functions
that are applicable to compressible flows. These wall-functions are primarily implemented in two locations
in ANSYS CFX: hydrodynamics and energy. First, consider the implementation in the hydrodynamics
section. The equation for the wall-shear-stress is obtained after a slight rearrangement of Equa-
tion 2.255 (p. 136):
(2.266)
This is similar to the low speed wall-function, except that U comp now replaces U. The Van Driest trans-
formation given by Equation 2.262 (p. 136), must now be performed on the near wall velocity. In the
implementation, Equation 2.262 (p. 136) is re-written in the following form:
(2.267)
where:
(2.268)
The relationship between wall heat transfer, near wall velocity and near wall temperature is given by
Equation 2.261 (p. 136) (and also in rearranged form after Equation 2.267 (p. 137): the equation for T w
/ T). A dimensionless variable, , can be defined as:
(2.269)
and hence:
(2.270)
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From Equation 2.270 (p. 137) it is clear that knowing , the near wall velocity, the near wall temperature
and the wall heat transfer, the wall temperature can be calculated (if instead the wall temperature is
known, then the wall heat transfer is calculated). Before proceeding, it is instructive to consider the
equation that is used in ANSYS CFX for low Mach number heat transfer. The equation is subsequently
modified for use at higher Mach numbers. This unmodified equation is given by:
(2.271)
where:
(2.272)
(2.273)
(2.274)
(2.275)
It can be seen that this equation blends between the linear and logarithmic near wall regions, and
hence is more general than just using the logarithmic profile that is implied by Equation 2.269 (p. 137).
Equation 2.271 (p. 138) has been extended for use in the compressible flow regime by interpreting the
linear and logarithmic velocity profiles given above as compressible or Van Driest transformed velocities:
(2.276)
(2.277)
This change is consistent with Equation 2.255 (p. 136). The untransformed velocities required by
Equation 2.271 (p. 138) can be obtained by applying the inverse Van Driest velocity transformation to
these compressible velocities. The inverse transformation is given by:
(2.278)
where:
(2.279)
(2.280)
and A and B are defined following Equation 2.262 (p. 136) above. The reverse transformed velocities
obtained from Equation 2.278 (p. 138) are substituted into Equation 2.271 (p. 138) to obtain the value of
. Either the wall heat transfer or the wall temperature can then be obtained from Equation 2.270 (p. 137).
The Van Driest transformation described above is used when the High Speed (compressible)
Wall Heat Transfer Model is selected in CFX-Pre. This option is available only in combination
with the Total Energy heat-transfer model.
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Chapter 3: GGI and MFR Theory
This chapter provides an overview of the numerical methods used for GGI (general grid interface) in
CFX.
A control surface approach is used to perform the connection across a GGI attachment or periodic
condition. A physically based intersection algorithm is employed to provide the complete freedom to
change the grid topology and physical distribution across the interface.
A general intersection algorithm permits connections to be successfully made, even when the resultant
surfaces on either side of an interface do not physically fit together to form a well defined physical
connection. In addition, an automatic surface trimming function is performed by the GGI algorithm, to
account for mismatched surface extent. This means that a GGI attachment or periodic condition can
be successfully defined where the surface on one side of the interface is larger (in extent) than the
surface on the other side of the interface. The interface is constructed between the overlapping regions
of the two sides of the interface.
Multiple Frames of Reference (MFR) allows the analysis of situations involving domains that are rotating
relative to one another. For CFX, this feature focuses on the investigation of rotor/stator interaction for
rotating machinery. Because MFR is based on the GGI technology, the most appropriate meshing style
may be used for each component in the analysis.
When using a Reynolds stress turbulence model (see Reynolds Stress Model in the CFX-Solver Manager
User's Guide) the contribution of the Reynolds stresses to the momentum equations at GGI interfaces
is approximated by an eddy viscosity approach. This approximation influences only the discretization
of the control volumes along the interface and is expected to be justifiable compared to the other ap-
proximations at the interface.
1. Strict conservation is maintained across the interface, for all fluxes of all equations (after accounting for
changes in pitch).
2. The interface treatment is fully implicit, so that the presence of an interface does not adversely affect
overall solution convergence.
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GGI and MFR Theory
3. The interface is applicable to incompressible, subsonic, transonic and supersonic flow conditions, and all
model options within CFX (for example, turbulence models, multiphase models, mixture models, CHT,
reaction, and so on).
4. The interface accounts internally for pitch change by scaling up or down (as required) the local flows as
they cross the interface, for the case of frame change interfaces.
5. Any number of GGI connection conditions are possible within a computational domain.
The surface fluxes along each side of the interface are discretized in terms of nodal dependent variables,
and in terms of control surface equations and control surface variables.
3.2. Numerics
If the case is transient rotor-stator, then the current relative position of each side of a sliding interface
is first computed at the start of each timestep. Each frame change model then proceeds by discretizing
the surface fluxes along each side of the interface in terms of nodal dependent variables, and in terms
of control surface equations and control surface variables. Each interface surface flow is discretized using
the standard flux discretization approach, but employs both the nodal dependent variables on the
local side of the interface and control surface variables on the interface region. Balance equations
within the interface region are generated for the interface variables from the flux contributions from
both sides of the interface. These equations are called control surface equations (different from control
volume equations) because they enforce a balance of surface flows over a given surface area.
1. Define regions within the interface where the fluxes must balance: control surfaces. Within each control
surface, identify new dependent variables. These are called interface variables. For a Stage (Mixing-Plane)
interface, the balance is across the entire interface in the direction of rotation, with as many control surfaces
perpendicular to the direction of rotation as the grid permits. For all other interfaces, the control surface
balance is at the resolution of the interface grid.
2. Evaluate the fluxes at each interface location, by visiting all control volumes with surfaces exposed to the
interface. Evaluate the surface flows using the `standard' approach taken for all interior flux evaluations
for advection, diffusion, pressure in momentum, and mass flows. Use a combination of nodal dependent
variables and the interface variables in these evaluations. For example consider advection; if the flow is
into the interface control volume, the advected quantity is equated to the interface variable. If the flow
is out of the interface control volume, the advected quantity is equated to the local nodal control volume
variable. Below is a summary of all common flux discretizations at the interface:
Advection: Mass out is connected to the upstream (nodal) values, and mass in is connected to upstream
(control surface) values.
Diffusion: A diffusion gradient is estimated using the regular shape function based gradient coefficients,
but all dependence of the gradient estimate on nodes on the interface are changed to a dependence
on interface variables.
Pressure in momentum: Evaluated using local nodal and control surface pressures and shape function
interpolations.
Local pressure gradient in mass redistribution: This gradient is estimated using the regular shape
function based gradient coefficients, but all dependence of the gradient estimate on nodal pressure
on the interface is in terms of the interface pressure variable.
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Numerics
3. When a face is in contact with more than one control surface balance equation, discretize the fluxes at
each integration point location in terms of generic interface unknowns, evaluate the flux N times (where
N is the number of control surfaces in contact with the face), each time using a different control surface
variable and applying a weighting factor to the flow based on an `exposed fraction' basis. Each partial
flow is accumulated in the control volume equation and in the relevant control surface equation.
4. Include each surface flow evaluation in two places: once in the interface control volume equation, and
once in the adjacent control surface equation. Once all interface surfaces have been visited, the resulting
equation set is as follows:
All interface control volume equations are complete. Each equation has coefficients to the usual
neighboring nodal variables, as well as to interface variables.
All control surface equations are now complete. Each equation has coefficients to local interface variables
as well as to nodal variables.
5. Solve the linear equation set to yield values of all nodal variables (from the control volume equations)
and all interface variables (from the control surface equations).
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Chapter 4: Transient Blade Row Modeling Theory
Note
For terminology and abbreviations used in this document, please refer to Transient Blade
Row Modeling Terminology in the CFX-Solver Modeling Guide.
Transient blade row flow can be modeled using the Transient Rotor Stator frame change model. However,
transient turbomachinery flow calculations are computationally demanding because they often require
modeling the entire turbomachine geometry due to the unequal number of blades from one row to
another. In order to reduce the computational effort (resulting in a faster calculation) the problem setup
can be made on a reduced model of the turbomachine. This model reduction can be accomplished if
pitch-change methods such as PT, TT, or FT are used. The reduction in size of the computational domain
reduces memory requirements (by a factor of 1/number of passages) and results in faster solution
convergence to a steady-periodic state.
In addition, the time-marching solution methods are traditionally used to obtain the final steady-peri-
odic state. Time marching methods require integration over several blade passing periods before the
solution reaches steady-periodic conditions. The integration of the transient periodic flow can be further
accelerated by solving the flow problem using the Harmonic Analysis (HA) method. This chapter intro-
duces the ANSYS CFX pitch-change methods for transient blade row modeling the Harmonic Analysis
solution method.
Figure 4.1: One passage periodicity cannot be applied (p. 143) illustrates how conventional periodicity
is inadequate when trying to use one passage to model a simulation that has a non-unity pitch ratio.
Figure 4.2: Workaround using standard periodicity (p. 144) shows the workaround needed in using a
conventional pitch scaling (profile transformation) approach. For the pitch scaling approach, you must
replicate passages on both sides of the interface to reduce the pitch scale ratio to unity. Since most
systems have prime number of components, you need to model all the passages. This can be very costly
and might require the simulation of the entire wheel in turbo-machinery applications if the number of
blades on one of the sides is a prime number.
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Transient Blade Row Modeling Theory
Figure 4.3: Phase Shifted Periodic Boundary Conditions (p. 144) illustrates the common principle used in
two of the Transient Blade Row methods: Time Transformation (p. 145) and Fourier Transformation (p. 147).
Each of these methods achieves what are effectively phase shifted periodic conditions through very
different approaches. The basic principle of a phase-shifted periodic condition is that the pitch-wise
boundaries R1/R2 and S1/S2 are periodic to each other at different instances in time. For example the
relative position of R1 and S1 at is reproduced between sides R2 and S2 at an earlier time
where is defined by . Here and are the rotor and stator component pitches,
respectively, and is the velocity of the rotor.
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Time Transformation
rotor and stator but, due to the pitch-wise approximation made on the periodic boundary, the dominant
blade passing frequency on both the rotor and the stator is the rotor passing frequency.
The PT interface can be used to connect two passages with a large pitch difference. However, to obtain
an accurate prediction of aerodynamic performance, the pitch ratio must be close to unity. This is possible
by using multiple passages per row so that the ensemble pitch ratio is near unity.
For modeling information, see Profile Transformation in the CFX-Solver Modeling Guide.
Mathematically, the condition of enforcing the flow spatial periodic boundary conditions on both rotor
and stator passages, respectively, is given by:
(4.1)
(4.2)
Alternatively, we can apply the following set of space-time transformations [217] to the problem above
as:
(4.3)
(4.4)
(4.5)
(4.6)
where .
The transformed set of equations now has regular spatial periodic boundary conditions as:
(4.7)
(4.8)
And the periodicity is maintained at any instant in time in the computational domain.
There are two important implications of working with the transformed system above instead of the
conventional system:
The equations that are solved are in the computational ( , , , ) transformed space-time domain and
need to be transformed back to physical ( , , , ) domain before postprocessing.
The rotor and stator passages are marching at different time step sizes.
One way of understanding the difference in time step size stated in the second point is:
a) Each passage experiences a different period; that is, the stator period is:
(4.9)
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Transient Blade Row Modeling Theory
b) The period in each passage must be discretized using an identical number of timesteps . We can
therefore write the rotor and stator periods as:
(4.11)
(4.12)
where and represent the time step size for the rotor and stator, respectively.
c) Combining the two definitions of rotor and stator periods in a) and b) we have the time step sizes
in the rotor and stator related by their pitch ratio as:
(4.13)
The simulation time step size set for the run is used in the stator passage(s) and ANSYS CFX
computes the respective rotor passage time step size based on the rotor-stator interface pitch
ratio as described above.
When the solution is transformed back to physical time, the elapsed simulation time is considered the
stator simulation time.
The flow interaction across the rotor-stator interfaces is handled by the pitch scaling machinery already
present in the Profile Transformation method. However, while the Profile Transformation method results
in a 1:1 pitch ratio with incorrect frequency due to profile contraction or expansion, the Time Transform-
ation method has the correct frequency, as the time has been scaled proportionally.
Another way of seeing the difference in time step sizes is to look at the time vs. pitchwise direction
plot for both stator and rotor domains. In Figure 4.4: Rotor and stator periodic boundaries in space-
time (p. 147) the rotor domain periodic boundaries are plotted with reference to the stator domain. One
can notice that, even though the rotor pitch is smaller than the stator pitch in physical space, their
boundaries match in the inclined computational space after time . Furthermore, if we look at the
time step size of stator and rotor, we see that they are different and related by the rotor-stator pitch
ratio.
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Fourier Transformation
For modeling information, see Time Transformation in the CFX-Solver Modeling Guide.
It basically consists of attempting to directly "impose" a phase shift between the R1,R2 boundaries and
the S1,S2 boundaries for the primitive variables of the problem. A direct method of applying the phase
shift boundary method was proposed by Erdos [215] but his method requires storage of the signal for
a complete period on all the R1/R2 S1/S2 boundaries including the interface shared by the rotor and
stator sections. The Frequency Transformation method makes use of temporal Fourier series decompos-
ition Equation 4.14 (p. 147) to avoid storing the signal on the S1/S2 and R1/R2 boundaries. This method
was initially introduced by He [218].
(4.14)
In this method the signal is decomposed into harmonics of the fundamental frequency of
each passage. For example in typical TRS problems this fundamental frequency is the inverse of the
blade passing period , where:
(4.15)
For other use cases the blade passing period can be calculated as :
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Transient Blade Row Modeling Theory
For an inlet disturbance case using from Inlet Disturbance Case in the CFX-Solver Modeling Guide.
For a blade flutter case using from Application of Phase-Shifted Boundaries to a Blade Flutter Case
in the CFX-Solver Modeling Guide.
Along similar lines as Gerolymos [216] the rotor/stator interface can be further decomposed as a signal
in theta harmonics resulting in a double ( - ) Fourier series method Equation 4.16 (p. 148).
(4.16)
By decomposing the signal on pitch-wise periodics with temporal Fourier series and decomposing the
signal on the rotor/stator interface with double Fourier series we take advantage of an excellent data
compression method by making use of the periodic nature of the flow since only the Fourier coefficients
and need to be stored to reconstruct the flow at an arbitrary time and pitchwise location once
the transient periodicity regime is reached.
The Fourier Transformation method in ANSYS CFX is implemented using a double-passage method. The
data is collected at the (implicit) interface (R2,S2) between the two passages, Figure 4.5: Double Passage
Method (p. 148). While performance is case dependent, the double-passage approach converges in
fewer cycles than a single-passage method, owing to the superior quality of the data update (Fourier
data is collected at the internal interface between passages, where the solution is fully implicit and far
from the actual periodic boundaries). The double-passage Fourier Transformation approach converges
very rapidly to a quasi-periodic state, requiring as few as 3-4 cycles in some cases.
Figure 4.6: Inlet Disturbance Configuration (p. 149) illustrates how the time shift is applied for the Double
Passage Fourier Transformation method.
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Harmonic Analysis
Where is the reconstructed signal at S2 using the accumulated Fourier coefficients on that same
boundary.
For modeling information, see Fourier Transformation in the CFX-Solver Modeling Guide.
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Transient Blade Row Modeling Theory
harmonics are retained ( ) then 5 time levels ( ) are required. A pseudo-time marching approach
similar to the steady-state solution method is used to solve the time level coupled equations.
In general, complex transient flows containing sharp discontinuities may require a larger number of
harmonics to be retained in order to resolve the flow features, while simpler smooth flows require a
smaller number of harmonics. Typical flow problems are solved using equal to 1, 3, or 5. The smaller
the number of retained harmonics, the more efficient the Harmonic Analysis (HA) method is with respect
to the time-marching solution. Therefore, it is essential to use the smallest number of harmonics at
which the solution accuracy is acceptable. The efficiency of the solution calculation is also affected by
the size of the specified pseudo-time step. Typically, the size of the pseudo-time step is determined as
the period of the unsteadiness divided by the intended number of pseudo-time steps per period. A
large number of pseudo-time steps per period (this is, a small time step size) makes the solution converge
slowly and inefficiently with respect to a time-marching solution. A lower number of pseudo-time steps
per period (that is, a large time step size) advances faster towards the converged solution and is more
attractive, but may cause numerical stability issues. It has been found that 15 to 30 pseudo-time steps
per period typically results in a good balance between calculation efficiency and solution stability.
For details on how HA relates to a transient run with time marching, see Transient versus Harmonic
Solution Method in the CFX Reference Guide.
A use case involving HA is described in Blade Flutter using Harmonic Analysis in the CFX-Solver Modeling
Guide.
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Chapter 5: Multiphase Flow Theory
This chapter discusses:
5.1. Multiphase Notation
5.2.The Homogeneous and Inhomogeneous Models
5.3. Hydrodynamic Equations
5.4. Multicomponent Multiphase Flow
5.5. Interphase Momentum Transfer Models
5.6. Solid Particle Collision Models
5.7. Interphase Heat Transfer
5.8. Multiple Size Group (MUSIG) Model
5.9.The Algebraic Slip Model
5.10.Turbulence Modeling in Multiphase Flow
5.11. Additional Variables in Multiphase Flow
5.12. Sources in Multiphase Flow
5.13. Interphase Mass Transfer
5.14. Free Surface Flow
Two distinct multiphase flow models are available in CFX, an Eulerian-Eulerian multiphase model and
a Lagrangian Particle Tracking multiphase model. This section describes Eulerian-Eulerian multiphase
flow theory. For information about modeling Eulerian-Eulerian multiphase flow in ANSYS CFX, see
Multiphase Flow Modeling. Lagrangian Particle Tracking theory and modeling are described in Particle
Transport Theory (p. 213) and Particle Transport Modeling, respectively.
You should be familiar with the mathematical implementation of single-phase flow before reading this
section. For details, see Basic Solver Capability Theory (p. 1).
Different phases of fluids are denoted using lowercase Greek letters , , , and so on. In general, a
quantity subscribed with , , , and so on, refers to the value of the quantity for that particular phase.
For example, the volume fraction of is denoted . Thus, the volume occupied by phase in a
small volume around a point of volume fraction is given by:
(5.1)
The total number of phases is . The volume fraction of each phase is denoted , where .
It is important to distinguish between the material density and the effective density of a fluid .
The material density, , is the density of the fluid if it is the only phase present, that is, the mass of
per unit volume of . The effective density is then defined as:
(5.2)
This is the actual mass per unit volume of phase , given that phase only occupies a fraction of the
volume, that is, the mass of per unit volume of the bulk fluid.
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Multiphase Flow Theory
This definition is used for both incompressible and compressible flows, whereas single phase flows treat
total pressure differently depending on the simulation. For details, see Total Pressure (p. 14).
Interfacial transfer can be modeled using either the particle or mixture models. These essentially provide
different algebraic prescriptions for the interfacial area density.
(5.5)
is clipped to a minimum volume fraction to ensure the area density does not go exactly to zero.
For large (that is, when the assumption of being dispersed is invalid), the area density is decreased to
reflect the fact that it should lead to zero as tends to 1.
With these modifications, the area density for the particle model is implemented as
(5.6)
where
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The Homogeneous and Inhomogeneous Models
(5.7)
By default, and take values of 0.8 and 10-7, respectively. In some cases, it may be appropriate
to use a different value for ; for example, increasing it to 10-3 provides a very crude nucleation
model for boiling a subcooled liquid. is controlled by the parameter Minimum Volume Fraction
for Area Density.
For non-drag forces, the solver uses a slightly different formulation of area density called the Unclipped
Interfacial Area Density. In this formulation, the area density is permitted to go to zero, that is,
in Equation 5.7 (p. 153). In addition, the area density is reduced more aggressively as the dispersed phase
volume fraction becomes large:
(5.8)
where:
The value of the exponent can be controlled with CCL. In the singleton particle model, you can also
specify a value for the Area Density Reduction Exponent. Setting the exponent to a negative value
causes the interfacial area density to be computed using the expressions for the clipped area density
described in Equation 5.6 (p. 152) and Equation 5.7 (p. 153), rather than the expression for the unclipped
area density.
Non-dimensional interphase transfer coefficients may be correlated in terms of the particle Reynolds
number and the fluid Prandtl number. These are defined using the particle mean diameter, and the
continuous phase properties, as follows:
(5.9)
(5.10)
where , and are the viscosity, specific heat capacity and thermal conductivity of the continuous
phase .
This is a very simple model that treats both phases , symmetrically. The surface area per unit volume
is calculated from
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Multiphase Flow Theory
(5.11)
By way of example, suppose you have oil-water flow in which you may have either water droplets in
continuous oil, or oil droplets in continuous water, in the limits , respectively. Then, a simple
model for interfacial area density that has the correct behavior in these two limits is given by:
(5.12)
and are clipped to be no smaller than permitted by the parameter Minimum Volume Fraction
for Area Density, which takes a default value of .
Non-dimensional interphase transfer coefficients may be correlated in terms of the mixture Reynolds
number and Prandtl number defined as follows:
(5.13)
(5.14)
where , , and are the density, viscosity, specific heat capacity and thermal conductivity
of the mixture respectively, defined by:
(5.15)
This area density is clipped to be no smaller than , where is controlled by the parameter
Maximum Length Scale for Area Density, which takes a default value of 1 m.
When more than two phases are present, this is generalized as follows:
(5.17)
For a given transport process, the homogeneous model assumes that the transported quantities (with
the exception of volume fraction) for that process are the same for all phases, that is,
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Hydrodynamic Equations
(5.18)
Because transported quantities are shared in homogeneous multiphase flow, it is sufficient to solve for
the shared fields using bulk transport equations rather than solving individual phasic transport equations.
The bulk transport equations can be derived by summing the individual phasic transport equations
(Equation 5.203 (p. 190)) over all phases to give a single transport equation for :
(5.19)
where:
(5.20)
The homogeneous model does not need to be applied consistently to all equations. For example, the
velocity field may be modeled as inhomogeneous, but coupled with a homogeneous turbulence model.
Alternatively, a homogeneous velocity field may be coupled with inhomogeneous temperature fields.
Homogeneous Additional Variables are also available in CFX.
(5.21)
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Multiphase Flow Theory
describes momentum sources due to external body forces, and user-defined momentum sources. For
details, see Sources (p. 47).
describes the interfacial forces acting on phase due to the presence of other phases. Additional in-
formation for the models available for interfacial forces is available in Interphase Momentum Transfer
Models (p. 158).
The term:
(5.22)
represents momentum transfer induced by interphase mass transfer. For details, see Interphase Mass
Transfer (p. 193).
The above momentum equations are valid for fluid phases only. For dispersed solid phases, additional terms
are present representing additional stresses due to particle collisions.
Note
The viscous stress term contains the product of and . Consequently, as the volume
fraction approaches zero, so does the dissipation. However for a dilute phase, the magnitude
of the dissipation is still significant because the mass of the dilute phase also goes to zero
as approaches zero. This is true not only for momentum but also for any other transported
quantity that includes a diffusion term (such as energy). In particular, if the volume fraction
gradient is very large, the diffusion term can cause severe convergence problems because
the cell with the smaller volume fraction will see a very large relative flux. This problem
can be significantly alleviated by using harmonic averaging for the diffusion coefficients since
the magnitude of the flux will be more sensitive to the volume fraction of the cell with the
smaller mass. To change to harmonic averages, use the expert parameter settings diffusion
coef averaging type = 3 for scalar equations and stress coef averaging type
= 3 for momentum equations. For simulations that are laminar, or that have regions of low
turbulent viscosity so that molecular diffusion is locally significant, a simple workaround is
to modify the viscosity and thermal conductivity using CEL so that, below a volume fraction
value of interest that is physically suitable, viscosity and thermal conductivity approach zero
as the volume fraction approaches zero.
(5.23)
describes user specified mass sources. For details, see Sources (p. 47).
is the mass flow rate per unit volume from phase to phase . This term only occurs if interphase mass
transfer takes place. For details, see Interphase Mass Transfer (p. 193).
(5.24)
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Hydrodynamic Equations
This equation may also be combined with the phasic continuity equations to obtain a transported
volume conservation equation. Take Equation 5.23 (p. 156), divide by phasic density, and sum over all
phases. This yields:
(5.25)
Interpreting this equation is simpler if you consider the special case of incompressible phases with no
sources, in which it simplifies to:
(5.26)
which requires the volume flows to have zero divergence. Equation 5.25 (p. 157) is the volume continuity
equation solved by the CFX-Solver.
and is given by Equation 5.23 (p. 156) and the momentum equation:
(5.29)
where:
(5.30)
This is essentially a single phase transport equation, with variable density and viscosity.
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You should note that the molecular diffusion coefficients are given by , where is the Kinematic
Diffusivity.
Source terms in multicomponent multiphase flow behave the same as multicomponent mass sources,
but on a per fluid basis. For details, see Sources (p. 47).
Interphase momentum transfer, , occurs due to interfacial forces acting on each phase , due to
interaction with another phase . The total force on phase due to interaction with other phases is
denoted , and is given by:
(5.32)
Note that interfacial forces between two phases are equal and opposite, so the net interfacial forces
sum to zero:
(5.33)
The total interfacial force acting between two phases may arise from several independent physical effects:
(5.34)
The forces indicated above respectively represent the interphase drag force, lift force, wall lubrication
force, virtual mass force, turbulence dispersion force and solids pressure force (for dense solid particle
phases only).
CFX provides a wide range of physical models for these forces. These models are described in the fol-
lowing places:
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Interphase Momentum Transfer Models
For more information, see Multiphase Flow with Turbulence Dispersion Force in the CFX Reference Guide.
Note that and . Hence, the sum over all phases of all interphase transfer terms is zero.
In this section, you will learn how the coefficients may be computed from a knowledge of dimen-
sionless drag coefficients. The range of models available for drag coefficients is also described.
The total drag force is most conveniently expressed in terms of the dimensionless drag coefficient:
(5.36)
where is the fluid density, is the relative speed, is the magnitude of the drag force and
is the projected area of the body in the direction of flow. The continuous phase is denoted by and
the dispersed phase is denoted by .
For spherical particles, the coefficients may be derived analytically. The area of a single particle
projected in the flow direction, , and the volume of a single particle are given by:
(5.37)
where is the mean diameter. The number of particles per unit volume, , is given by:
(5.38)
Hence, the total drag per unit volume on the continuous phase is:
(5.40)
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Comparing with the Momentum Equations (p. 155) for phase , where the drag force per unit volume
is:
(5.41)
you get:
(5.42)
The following section describes drag correlations specific to dispersed multiphase flow.
For particle Reynolds numbers, such as Equation 5.9 (p. 153), that are sufficiently large for inertial effects
to dominate viscous effects (the inertial or Newtons regime), the drag coefficient becomes independent
of Reynolds number:
(5.45)
In the transitional region between the viscous and inertial regimes, for spherical particles,
both viscous and inertial effects are important. Hence, the drag coefficient is a complex function of
Reynolds number, which must be determined from experiment.
This has been done in detail for spherical particles. Several empirical correlations are available. The
one available in CFX is due to Schiller and Naumann (1933) [6]. It can be written as follows:
CFX modifies this to ensure the correct limiting behavior in the inertial regime by taking:
(5.47)
(5.48)
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Interphase Momentum Transfer Models
Note that this has the same functional form as the Schiller Naumann correlation, with a modified particle
Reynolds number, and a power law correction, both functions of the continuous phase volume fraction
.
You may also change the Volume Fraction Correction Exponent from its default value of -1.65, if you
want.
Note
Although the Wen Yu drag law implemented in ANSYS CFX follows the implementation by
Gidaspow [18] and its subsequent wide use, this implementation of the drag law is, in fact,
quite different from that given in the original Wen and Yu paper [181].
(5.49)
This uses the Wen Yu correlation for low solid volume fractions , and switches to Erguns law for
flow in a porous medium for larger solid volume fractions.
Note that this is discontinuous at the cross-over volume fraction. In order to avoid subsequent numer-
ical difficulties, CFX modifies the original Gidaspow model by linearly interpolating between the Wen
Yu and Ergun correlations over the range .
You may also change the Volume Fraction Correction Exponent of the Wen Yu part of the correlation
from its default value of -1.65, if you want.
At larger particle Reynolds numbers, the inertial or distorted particle regime, surface tension effects
become important. The fluid particles become, at first, approximately ellipsoidal in shape, and finally,
spherical cap shaped.
In the spherical cap regime, the drag coefficient is well approximated by:
(5.50)
Several correlations are available for the distorted particle regime. CFX uses the Ishii Zuber [19] and
Grace [35] correlations.
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Here, is the density difference between the phases, is the gravitational acceleration, and is the
surface tension coefficient.
In this case, CFX automatically takes into account the spherical particle and spherical cap limits by setting:
(5.53)
The Ishii Zuber Model also automatically takes into account dense fluid particle effects. For details, see
Densely Distributed Fluid Particles (p. 162).
(5.54)
(5.55)
where:
(5.56)
and:
(5.57)
(5.58)
In this case, CFX automatically takes into account the spherical particle and spherical cap limits by setting:
(5.59)
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Interphase Momentum Transfer Models
In the viscous regime, where fluid particles may be assumed to be approximately spherical, the Schiller
Naumann correlation is modified using a mixture Reynolds number based on a mixture viscosity.
5.5.2.4.2. Densely Distributed Fluid Particles: Dense Spherical Particle Regime (Ishii Zuber)
(5.60)
Here, is the user-defined Maximum Packing value. This is defaulted to unity for a dispersed fluid
phase.
In the distorted particle regime, the Ishii Zuber modification takes the form of a multiplying factor to
the single particle drag coefficient.
5.5.2.4.3. Densely Distributed Fluid Particles: Dense Distorted Particle Regime (Ishii Zuber)
(5.61)
5.5.2.4.4. Densely Distributed Fluid Particles: Dense Spherical Cap Regime (Ishii Zuber)
(5.62)
The Ishii Zuber correlation, as implemented in CFX, automatically selects flow regime as follows:
5.5.2.4.5. Densely Distributed Fluid Particles: Automatic Regime Selection (Ishii Zuber)
(5.63)
For high bubble volume fractions, it may be modified using a simple power law correction:
(5.64)
Here, is the single bubble Grace drag coefficient. Advice on setting the exponent value for the
power law correction is available in Densely Distributed Fluid Particles: Grace Drag Model in the CFX-
Solver Modeling Guide.
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where is the total drag exerted by phase on phase per unit volume.
(5.67)
When more than two phases are present, this is generalized as follows:
(5.69)
CFX contains a model for the shear-induced lift force acting on a dispersed phase in the presence of a
rotational continuous phase. This is given by:
(5.70)
where is a non-dimensional lift coefficient. In a rotating frame of reference with rotation vector ,
the lift force is given by:
(5.71)
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Interphase Momentum Transfer Models
The lift coefficient is correlated in terms of both particle Reynolds number and vorticity Reynolds
numbers:
(5.72)
Saffman (1965, 1968) [86][170] correlated the lift force for low Reynolds number flow past a spherical
particle as follows:
(5.73)
where , and . By inspection, Saffmans lift coefficient is related to the one ad-
opted in ANSYS CFX as follows:
(5.74)
Saffmans correlation was generalized by Mei and Klausner (1994) [87] to a higher range of particle
Reynolds numbers, as follows:
(5.75)
where , and .
where
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(5.78)
(5.79)
where:
is a modified Eotvos number, based on the long axis, , of the deformable bubble:
The correlation has been slightly modified from Tomiyamas original form, following Frank et al. (2004)
[173], whereby the value of for has been changed to to ensure a continuous depend-
ence on modified Eotvos number. Also, some publications omit the exponent of Eotvos number in the
formula for . The formula adopted here is taken from Wellek et al.[174].
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Interphase Momentum Transfer Models
(5.80)
In a rotating frame of reference with rotation vector , the virtual mass force in terms of is modified
by Coriolis theorem, and is given by:
(5.81)
The non-dimensional virtual mass coefficient for inviscid flow around an isolated sphere. In
general, depends on shape and particle concentration may be specified by you as a constant
or a CEL expression.
Currently, ANSYS CFX has the following wall lubrication force models:
where
The non-dimensional coefficients are defaulted to and . You can change these
values.
is the relative velocity difference between phases, in the plane of the nearby wall surface (that is,
orthogonal to ).
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Note that this force is only active in a thin layer adjacent to the wall; it is only active up to a cut-off
distance of:
Hence, this force will only be activated on a sufficiently fine mesh, and grid convergence can be expected
only on extremely fine meshes.
(5.83)
Here, is the pipe diameter. Hence, although the model was found to be superior to Antal's [88] (Frank
et al. 2004 [173]), it is restricted to flows in pipe geometries. As is the case for the Tomiyama lift force
correlation, the coefficient is dependent on the Eotvos number, and hence on the surface
tension between the two phases. Frank et al (2004) modified this correlation slightly to ensure continuous
dependence of the wall lubrication coefficient on Eotvos number:
(5.84)
(5.85)
Note:
The cut-off coefficient, , determines the distance relative to the particle diameter over which the force
is active. gives the same range as the Antal model with default constants.
The damping coefficient, , determines the relative magnitude of the force. gives the same
behavior as the Antal model with default constants. However, Frank et al. found that such high damping of
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Interphase Momentum Transfer Models
the wall lubrication force was not able to sufficiently counterbalance the Tomiyama lift force in the near
wall region.
The power-law constant, , makes the force fall off with a variable potential law relationship: .
It is recommended that be in the range: 1.5 to 2.
In extensive validation exercises by Frank et al. [177], the following model constants were determined in
order to produce the best possible agreement with experimental data for vertical bubbly flow in pipes:
, , .
(5.86)
Here, is the momentum transfer coefficient for the interphase drag force. Hence, the model clearly
depends on the details of the drag correlation used is the turbulent Schmidt number for continuous
phase volume fraction, currently taken to be .
is a user-modifiable CEL multiplier. Its default value is unity. These defaults are appropriate for
flows where the particle relaxation time is short relative to turbulent timescales, that is, for a low turbulent
stokes number (see, Turbulent Stokes Number). This is true for dispersed phases that are light relative
to the continuous phase, for example bubbles. However, for dispersed phases that are significantly
heavier than the continuous phase, it is only true for very small particles. The default values will overes-
timate the turbulent dispersion force for large, heavy particles. In this case, better agreement with ex-
periments can be achieved by reducing the value of , or by making it a decreasing function of tur-
bulent Stokes number that is equal to unity when , and tending to zero as . If such inform-
ation is not available, it is recommended that you ignore the turbulent dispersion force for particles of
large Stokes number.
Unfortunately, it is not possible to recommend universal values of for this model. values of
0.1 to 0.5 have been used successfully for bubbly flow with bubble diameters of order a few millimeters.
However, values up to 500 have been required for other situations. See Lopez de Bertodano [21] and
Moraga et al. [91].
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This model is included in CFX for historical back compatibility with CFX. However, the relatively more
universal Favre Averaged Drag model is recommended for all situations where an appropriate value of
is unknown.
(5.88)
Here, denotes solids pressure, denotes solids shear viscosity, and denotes solids bulk viscosity.
There are two important classes of models for these quantities:
In the most general kinetic theory models, the granular temperature is determined from a transport
equation. However, in many circumstances, it is possible to ignore the transport terms, and determine
granular temperature from the resulting algebraic equation.
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Solid Particle Collision Models
(5.90)
(5.91)
Where is the Elasticity Modulus, is the Reference Elasticity Modulus, is the Compaction
Modulus, and is the Maximum Packing Parameter.
The Gidaspow model is implemented with an option for specifying the Reference Elasticity Modulus
and Compaction Modulus. There is also an option to specify the Elasticity Modulus directly.
There is also an option to specify the solids pressure directly. This permits more general constitutive
relations than those where the solids pressure is a function of volume fraction only.
Here, denotes the coefficient of restitution for solid-solid collisions, and denotes the radial
distribution function. Popular models for the radial distribution function are given by:
Note that the radial distribution function tends to infinity as . The singularity is removed in CFX
by setting:
(5.95)
where and:
(5.96)
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Note that their constant of proportionality is dimensional, and is likely to require modification for different
fluid-solid material properties.
More complex models for solids shear stress enable the shear stress to become very large in the limit
of maximum packing. A wide range of such models is discussed in the review article by Enwald et al
[97].
It is possible for you to implement any of these models, using a CEL expression for the solids shear
viscosity. It is important to note that any solids volume fraction dependence must be included in the
CEL expression. This is because the CFX-Solver treats material shear viscosities and solids collisional
shear viscosities differently. In Eulerian multiphase flow applications, the effective material shear viscosity,
, is assumed to be of the form:
(5.98)
where is the single-phase material shear viscosity and is the volume fraction of that phase. is
defined in the material properties library and the multiplication of Equation 5.98 (p. 172) is performed
automatically by the CFX-Solver. However, if using a custom CEL expression for solids shear viscosity,
the full dependence on volume fraction must be included in the CEL expression, that is, no internal
multiplication by volume fraction will occur automatically.
There is wide agreement on the correct form of the collisional contribution. As in the kinetic theory of
gases, it is proportional to the square root of the granular temperature:
(5.100)
However, there are many proposals in the literature for the correct form of the kinetic contribution. For
example:
(5.101)
(5.102)
Here, .
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Solid Particle Collision Models
(5.104)
where denotes the solids shear stress tensor Equation 5.88 (p. 170), and:
(5.105)
(5.106)
(5.107)
where:
(5.108)
In order to determine from Equation 5.104 (p. 173), it is useful to take into account the dependence
of solids pressure and shear bulk viscosities on . You have:
(5.109)
(5.111)
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Hence, substituting into Equation 5.107 (p. 173), you may express the production term in terms of
granular temperature as follows:
(5.112)
where:
(5.113)
Similarly, the dissipation term Equation 5.105 (p. 173) may be simplified as follows:
(5.114)
where:
(5.115)
Equating Equation 5.112 (p. 174) and Equation 5.114 (p. 174), and dividing by gives a quadratic
equation for :
(5.116)
Note that is strictly positive if, and only if, the coefficient of restitution is strictly less than unity. In
this case, in view of the fact that , Equation 5.116 (p. 174) has a unique positive solution:
(5.117)
The Algebraic Equilibrium model has the flaw that unphysically large granular temperatures can be
generated in regions of low solid particle volume fraction. To circumvent this, specify an upper bound
for the granular temperature. The square of the mean velocity scale is a reasonable estimate for this.
(5.118)
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Interphase Heat Transfer
(5.119)
The multiphase version of the thermal energy equation for static enthalpy (incompressible and low
speed compressible flows only) generalizes Equation 1.93 (p. 22):
(5.120)
where:
, , , denote the static enthalpy, the temperature, and the thermal conductivity of phase .
represents the internal energy of phase , although the variable is still called Static Enthalpy in CFD-Post.
describes external heat sources. For details, see Sources (p. 47).
denotes interphase heat transfer to phase across interfaces with other phases. For details, see Inhomo-
geneous Interphase Heat Transfer Models (p. 175).
The term
(5.121)
represents heat transfer induced by interphase mass transfer. For details, see Interphase Mass Trans-
fer (p. 193).
(5.122)
where:
(5.123)
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difference between the phases. Thus, the rate of heat transfer, , per unit time across a phase
boundary of interfacial area per unit volume , from phase to phase , is:
(5.124)
where the volumetric heat transfer coefficient, , is modeled using the correlations described below.
Hence, the interfacial area per unit volume and the heat transfer coefficient are required.
It is often convenient to express the heat transfer coefficient in terms of a dimensionless Nusselt number:
(5.127)
In the particle model, the thermal conductivity scale is taken to be the thermal conductivity of the
continuous phase, and the length scale is taken to be the mean diameter of the dispersed phase:
(5.128)
For laminar forced convection around a spherical particle, theoretical analysis shows that . For a
particle in a moving incompressible Newtonian fluid, the Nusselt number is a function of the particle
Reynolds number and the surrounding fluid Prandtl number .
Additional information on models in ANSYS CFX is available in Particle Model Correlations for Overall
Heat Transfer Coefficient in the CFX-Solver Modeling Guide. Some additional details for the Interface Flux
model are provided below.
Interface Flux
The heat flux coefficients for both fluids and the interfacial heat flux value, F 12, from Fluid 1 to Fluid 2
(Fluid 1 is the fluid to appear on the left of the Fluid Pairs list) are specified. F 12 is the rate of heat
transfer per unit time per unit interfacial area from phase 1 to phase 2. Hence, the heat transferred
to fluid 2 from fluid 1 per unit volume is given by:
(5.129)
Typically, will be a function of the fluid 1 and fluid 2 temperature fields, and possibly other vari-
ables. In this case, you may accelerate convergence of the coupled solver by also specifying optional
fluid 1 and fluid 2 heat flux coefficients.
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Interphase Heat Transfer
(5.130)
The solver takes the absolute value of these flux coefficients to ensure that they are positive. This is
required for numerical stability. The partial derivatives need not be computed exactly; it is sufficient
for the specified coefficients to simply approximate the partial derivatives. Specification of heat flux
coefficients only affects the convergence rate to the solution of the coupled heat transfer equations,
it does not affect the accuracy of the converged solution.
For example, the simple model using a heat transfer coefficient multiplied by a bulk temperature
difference my be recovered using:
(5.131)
For details, see Mixture Model Correlations for Overall Heat Transfer Coefficient in the CFX-Solver Mod-
eling Guide.
Defining the sensible heat flux to phase from the interface as:
(5.132)
and the sensible heat flux to phase from the interface as:
(5.133)
where and are the phase and phase heat transfer coefficients respectively. is interfacial
temperature, and it is assumed to be the same for both phases.
(5.134)
where is the thermal conductivity of fluid , and is the interfacial length scale (the mean particle
diameter for the Particle Model, and the mixture length scale for the Mixture Model).
In the absence of interphase mass transfer, you must have overall heat balance . This condition
determines the interfacial temperature:
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(5.135)
It also determines the interphase heat fluxes in terns of an overall heat transfer coefficient:
(5.136)
Hence, in the absence of interphase mass transfer, the two resistance model is somewhat superfluous,
as it may be implemented using a user-specified overall heat transfer coefficient.
It is possible to specify a zero resistance condition on one side of the phase interface. This is equivalent
to an infinite fluid specific heat transfer coefficient . Its effect is to force the interfacial temperature
to be the same as the phase temperature, .
Modeling advice is available in Two Resistance Model for Fluid Specific Heat Transfer Coefficients in the
CFX-Solver Modeling Guide.
The equations solved are identical to the phasic equations for full multiphase described above. For
homogeneous heat transfer model, the interphase heat transfer coefficient is not modeled by any of
the correlations used in full multiphase. Instead it is chosen to be large relative to the other transported
processes in the equation, thereby ensuring the phasic temperatures are the same.
The starting point for the MUSIG model is the population balance equation. Let represent the
number density of particles of mass at time . Then the population balance equation is:
(5.137)
where , , , and respectively represent the birth rate due to breakup of larger particles, the
death rate due to breakup into smaller particles, the birth rate due to coalescence of smaller particles,
and the death rate due to coalescence with other particles. These rates may further be expressed as:
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Multiple Size Group (MUSIG) Model
(5.138)
(5.139)
(5.140)
(5.141)
where represents the specific breakup rate (the rate at which particles of mass break into
particles of mass and ) and represents the specific coalescence rate (the rate at which
particles of mass coalesce with particles of mass to form particles of mass .
(5.142)
Also define the mass and volume fraction of size group to be and , respectively, and recognize
that . Now integrate Equation 5.137 (p. 178) over the bin size dimension and multiply by
to give:
(5.143)
or:
(5.144)
Defining the size fraction , this equation may also be written as:
(5.145)
which is the size fraction equation used by the MUSIG model. A further simplification is to assume that
all size groups share the same density and velocity yielding the homogeneous MUSIG model:
(5.146)
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(5.147)
Similarly, the contribution of the death rate due to breakup into smaller particles is:
(5.148)
Note that the total source due to breakup is zero when summed over all size groups:
(5.149)
For the discretized coalescence sources, you must define the coalescence mass matrix as the fraction
of mass due to coalescence between groups at , which goes into group :
(5.150)
The contribution of the birth rate due to coalescence of smaller particles to the source term in Equa-
tion 5.146 (p. 179) is:
(5.151)
Similarly, the contribution of the death rate due to coalescence into larger groups is:
(5.152)
Note that this formulation for the coalescence source terms guarantees that the total source to coales-
cence is zero when summed over all size groups:
(5.153)
This follows from the requirement that together with the following property of
the mass matrix for all :
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Multiple Size Group (MUSIG) Model
(5.154)
There are three built-in recipes for creating size groups from a user-defined minimum and maximum
diameter: equal mass, equal diameter, and geometric.
where is the mass represented by group , is the minimum particle mass, is the maximum
particle mass, and is the number of groups.
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5.8.2.4. Comparison
The following table compares the discretization options for a polydispersed fluid having
and .
Equal Geometric
Equal Mass
Diameter Mass
Group Discretization
Discretization Discretization
(mm)
(mm) (mm)
1 0.5850 0.050 0.0225
2 0.8430 0.150 0.0284
3 1.000 0.250 0.0358
4 1.118 0.350 0.0451
5 1.216 0.450 0.0568
6 1.300 0.550 0.0715
7 1.375 0.650 0.0901
8 1.442 0.750 0.1140
9 1.503 0.850 0.1430
10 1.560 0.950 0.1800
11 1.613 1.050 0.2270
12 1.663 1.150 0.2860
13 1.710 1.250 0.3600
14 1.754 1.350 0.4540
15 1.796 1.450 0.5720
16 1.837 1.550 0.7210
17 1.875 1.650 0.9080
18 1.912 1.750 1.1440
19 1.948 1.850 1.4420
20 1.983 1.950 1.8170
Equal diameter discretization: the diameter represented by the group boundary is assumed to be
midway between the diameters represented by the adjacent groups
Other discretizations (including user-defined): the mass represented by the group boundary is assumed
to be midway between the masses represented by the adjacent groups
The mass represented by the upper limit of the largest-size group is based on the diameter represented
by that limit; for user-defined groups, that diameter is not available and so is derived based on an ex-
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Multiple Size Group (MUSIG) Model
trapolation of the two largest groups. The mass represented by the lower limit of the smallest-size group
is assumed to be zero.
(5.162)
where:
(5.163)
is the dimensionless size of eddies in the inertial subrange of isotropic turbulence. The lower limit of
the integration is given by:
(5.164)
where
(5.165)
and is the minimum eddy ratio and can have a value between 11.4 and 31.4 (defaults to 11.4).
A custom model for the breakup kernel may also be provided. The model may be a CEL ex-
pression or User Routine and may be a function of the diameter and/or mass represented by groups
and as well as any fluid variable.
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The coalescence kernel is therefore modeled by a collision rate of two bubbles and a collision efficiency
relating to the time required for coalescence:
(5.166)
The collision efficiency is modeled by comparing the time required for coalescence with the actual
contact time during the collision :
(5.167)
(5.168)
(5.169)
where is the initial film thickness, is the critical film thickness when rupture occurs, and is the
equivalent radius:
(5.170)
and is a calibration factor. The buoyancy contribution to collision frequency is modeled as:
(5.174)
where:
(5.175)
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The Algebraic Slip Model
A custom model for the coalescence rate kernel may also be provided. The model may be
a CEL expression or User Routine involving the diameter and/or mass represented by groups and
as well as any fluid variable. Note that the model must give symmetric coalescence rates
( ).
(5.176)
(5.177)
(5.178)
and a bulk momentum equation by summing Equation 5.177 (p. 185) over all phases:
(5.179)
where:
(5.180)
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With these relationships, the phasic continuity equation may be written in terms of mass fraction and
drift velocity as:
(5.184)
(5.185)
(5.186)
Equation 5.185 (p. 186) and Equation 5.186 (p. 186) are combined to eliminate the pressure gradient term,
yielding:
(5.187)
1. The dispersed phase is assumed to instantaneously reach its terminal velocity, so the transient term on
the drift velocity is neglected.
In addition, it is assumed that the interphase momentum transfer is due only to drag and that the
particles are spherical:
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Turbulence Modeling in Multiphase Flow
(5.190)
which leads to the following closed relationship for the slip velocity:
(5.191)
Note that, for rotating reference frames, the apparent accelerations are automatically included by taking
the derivative of the absolute frame velocity rather than relative frame velocity on the right-hand-side.
The effect of in the bulk momentum equation is neglected in the current implementation.
In the ASM formulation outlined here, turbulent dispersion forces are not considered in the derivation
of slip velocity. Instead, turbulent dispersion is modeled using the same turbulence model as for mul-
ticomponent flows:
(5.192)
The following term is therefore added to the right-hand side of Equation 2.5 (p. 79):
(5.193)
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where is a proportionality constant. The velocity scale is calculated to be the maximum velocity in
phase . If you specify a value for the velocity scale, it will be used for all phases. The length scale is
derived using the formula:
(5.196)
The parameter is a turbulent Prandtl number relating the dispersed phase kinematic eddy viscosity
to the continuous phase kinematic eddy viscosity .
In situations where the particle relaxation time is short compared to turbulence dissipation time scales,
you may safely use the default value . If the particle relaxation time is long compared to turbulence
dissipation time scales, it may be better to use a value of . This is highly model dependent. Several
models are available in the literature.
(5.198)
The transport equations for and in a turbulent phase are assumed to take a similar form to the
single-phase transport equations:
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Additional Variables in Multiphase Flow
(5.199)
(5.200)
Definitions of the terms are available. For details, see The k-epsilon Model in ANSYS CFX (p. 82).
The additional terms and represent interphase transfer for and respectively. These are
omitted in CFX, though they may be added as user sources.
By default, no additional exchange terms are added, though they may be added as user sources.
where is the usual Shear Induced Eddy Viscosity, and is an additional Particle Induced Eddy
Viscosity:
(5.202)
For inhomogeneous multiphase flow, it is possible to solve a single turbulence field in a similar way to
homogeneous flow. For details, see Homogeneous Turbulence in Inhomogeneous Flow in the CFX-
Solver Modeling Guide.
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(5.203)
Note:
is the Kinematic Diffusivity for the scalar in phase . This may be set for each Additional Variable and
each phase separately.
is the external volumetric source term in phase , with units of conserved quantity per unit volume per
unit time.
represents the total source to due to interphase transfer across interfaces with other phases.
Although the turbulent Schmidt number, , is shown to apply to phase only, it currently cannot be
specified on a phase-specific basis in CFX.
As in single phase, Diffusive Transport and Poisson equations are also available for multiphase Additional
Variables). For details, see Additional Variables (p. 44). Diffusive transport equations exclude the advection
term, turbulent diffusion term, and contributions due to interphase mass transfer from Equa-
tion 5.203 (p. 190). Poisson equations exclude these terms as well as the transient term.
The total source to per unit volume due to interaction with other phases is given by:
(5.204)
where:
(5.205)
The simplest models for interphase transfer between and take the driving force to be propor-
tional to the difference in bulk Additional Variable values across the phase interface:
(5.206)
(5.207)
The first of these is used if the Additional Variable is defined per unit mass. The latter is used if the
Additional Variable is defined per unit volume.
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Additional Variables in Multiphase Flow
The coefficients are defined by analogy with heat transfer. For details, see Inhomogeneous Interphase
Heat Transfer Models (p. 175).
(5.209)
It is often convenient to express the Additional Variable transfer coefficient in terms of a dimensionless
Sherwood number , analogous to the Nusselt number in heat transfer.
(5.211)
The diffusivity scale is the kinematic diffusivity for a volumetric variable, and the dynamic diffusivity
for a specific variable.
(5.212)
For laminar forced convection around a spherical particle, theoretical analysis shows that . For a
particle in a moving incompressible Newtonian fluid, the Sherwood number is a function of the particle
Reynolds number and the Additional Variable Prandtl number .
Details on the models available in CFX for Additional Variable transfer are available. For details, see
Particle Model Correlations in the CFX-Solver Modeling Guide. Some additional details for the Interface
Flux model are provided below.
Interface Flux
You specify directly the interfacial flux from Additional Variable in fluid 1 to Additional Variable
in fluid 2 of a specified fluid pair. This is the rate of Additional Variable transfer per unit time per
unit interfacial area from phase 1 to phase 2. Hence, the amount of Additional Variable transferred
to fluid 2 from fluid 1 per unit volume is given by:
(5.213)
Typically, will be a function of the fluid 1 and fluid 2 Additional Variable fields, and possibly
other variables. In this case, you may accelerate convergence of the coupled solver by also specifying
optional fluid 1 and fluid 2 Additional Variable flux coefficients.
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(5.214)
The solver takes the absolute value of these flux coefficients to ensure that they are positive. This is
required for numerical stability. The partial derivatives need not be computed exactly; it is sufficient
for the specified coefficients to simply approximate the partial derivatives. Specification of Additional
Variable flux coefficients affects only the convergence rate to the solution of the coupled transfer
equations; it does not affect the accuracy of the converged solution.
For example, the simple model using a transfer coefficient multiplied by bulk specific Additional
Variable differences may be recovered using:
(5.215)
(5.216)
where:
(5.219)
Homogeneous diffusive transport equations exclude the advection term from Equation 5.218 (p. 192),
while homogeneous Poisson equations exclude the advection and transient terms.
Homogeneous Additional Variables are available for both homogeneous and inhomogeneous flow.
However, in most cases, the homogeneous assumption is inappropriate for volumetric Additional Vari-
ables. For this reason, only specific Additional Variables are permitted to be homogeneous in ANSYS
CFX.
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Interphase Mass Transfer
You may need to multiply a multiphase source by the volume fraction. For details, see Sources in Mul-
tiphase Flow in the CFX-Solver Modeling Guide.
describes user specified mass sources. For details, see Sources (p. 47).
is the mass source per unit volume into phase due to interphase mass transfer. This is expressed as
follows:
(5.221)
is the mass flow rate per unit volume from phase to phase . You must have:
(5.222)
As it is important to keep track of the direction of mass transfer processes, it is convenient to express
as follows:
(5.223)
The term: represents the positive mass flow rate per unit volume from phase to phase .
For mass transfer processes across a phase interphase, it is useful to express the volumetric mass sources
in terms of mass fluxes:
(5.224)
is the mass flow rate per unit interfacial area from phase to phase , and is the interfacial area
density between the phases.
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As interfacial area is commonly proportional to volume fraction, this permits automatic linearization of
mass transfer terms relative to volume fraction.
By default, is the unclipped interfacial area density, which goes to zero as the volume fraction goes
to zero.
By setting the expert parameter ipmt area density clip = t, you can use a clipped interfacial
area density, where the latter is not allowed to be less than a certain small clipping value as the volume
fraction goes to zero. The clipping value is obtained by using the specified minimum volume fraction
(see Minimum Volume Fraction in the CFX-Solver Modeling Guide) in the calculation of interfacial area
density. Using a clipped interfacial area density can serve as a crude nucleation model for some kinds
of mass transfer, but can affect mass conservation within the solution.
The default form of the secondary source terms for a transported variable is:
(5.225)
That is, mass transfer from a phase into a phase carries the bulk conserved quantity into phase
. This is referred to as an upwind formulation, as the upwinded value is carried out of the outgoing
phase, and into the incoming phase.
This default formulation is modified in certain circumstances, in order to take account of discontinuities
in the transported variable at the phase interface, for example, enthalpy in the case of phase change.
For details, see The Thermal Phase Change Model (p. 198).
If the interphase mass flux between any pair of phases is specified, the volumetric mass source
is computed internally by multiplying by interfacial area density:
(5.226)
Alternatively, you may directly specify the volumetric mass source, or interphase mass flow, .
In both cases, all transport equations are automatically assigned default secondary sources of the up-
winded form:
(5.227)
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Interphase Mass Transfer
(5.228)
(5.229)
For binary mixtures, the equilibrium curve depends on temperature and pressure. For multicomponent
mixtures, it also depends on mixture composition. The equilibrium curve is in general monotonic and
nonlinear. Nevertheless, it is convenient to quasi-linearize the equilibrium relationship as follows:
(5.231)
(5.232)
(5.233)
It is well known that, for a pure liquid A in contact with a gas containing its vapor, dynamic equilibrium
occurs when the partial pressure of the vapor A is equal to its saturated vapor pressure at the same
temperature.
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Raoults law generalizes this statement for the case of an ideal liquid mixture in contact with a gas. It
states that the partial pressure of solute gas A is equal to the product of its saturated vapor pressure
at the same temperature, and its mole fraction in the liquid solution .
(5.234)
If the gas phase is ideal, then Daltons law of partial pressures gives:
(5.235)
is Henrys constant for the component A in the liquid . It has units of pressure, and is known empir-
ically for a wide range of material pairs, especially for common gases dissolved in water. It is strongly
dependent on temperature.
Henrys law may also be combined with Daltons law in order to express it in terms of a mole fraction
equilibrium ratio:
(5.238)
Unfortunately, there is no common convention on the definition of Henrys constant. Another definition
in common use relates the partial pressure in the gas to the molar concentration in the liquid:
(5.239)
Consider a species A dissolved in two immiscible phases and . The basic assumption is that there
is no resistance to mass transfer at the phase interface, and hence the equilibrium conditions prevail
at the phase interface.
Also, it is assumed in this section that the total mass transfer due to species transfer is sufficiently small
that primary mass sources to the phasic continuity equations are neglected. Hence, secondary mass
fluxes to the species mass transfer equations are also ignored.
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Interphase Mass Transfer
You model the component mass transfer using mass transfer coefficients , , defined on either side
of the phase interface. These are usually defined so that driving forces are defined in terms of molar
concentration differences. Thus, the molar flux of A to phase from the interface is:
(5.241)
Multiplying through by the molar mass of A, this determines the mass fluxes as follows:
In order to eliminate the unknown interface values, Equation 5.242 (p. 197) and Equation 5.243 (p. 197)
must be supplemented by the equilibrium relation between and . This is most conveniently ex-
pressed using the molar concentration equilibrium ratio:
(5.244)
may now be combined with the quasi-linearized equilibrium relationship Equation 5.244 (p. 197) to de-
termine the interface mass concentrations:
(5.246)
These may be used to eliminate the interface values in Equation 5.242 (p. 197) and Equation 5.243 (p. 197)
in order to express the interfacial mass fluxes in terms of the phasic mass concentrations:
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(5.247)
This section discusses the theory. For modeling information, see Thermal Phase Change Model.
It is essential to consider the heat transfer processes on each side of the phase interface. Hence, the
Two Resistance model for interphase heat transfer must be used in conjunction with the Thermal Phase
Change model. For details, see The Two Resistance Model (p. 177).
Recall that, in this case, the sensible heat flux to phase from the interface is:
(5.248)
and the sensible heat flux to phase from the interface is:
(5.249)
and are the phase and phase heat transfer coefficients respectively.
Note that this is in contrast to the case where there is no mass transfer. In that case, the interfacial
temperature is determined from the sensible heat balance .
In the case of interphase mass transfer, the interphase mass transfer is determined from the total heat
balance, as follows.
and represent interfacial values of enthalpy carried into and out of the phases due to phase change,
see below for details.
The total heat balance now determines the interphase mass flux:
(5.252)
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Interphase Mass Transfer
The secondary heat flux term must be modified in order to take account of the discontinuity in static
enthalpy due to latent heat between the two phases. This is achieved using a modification of the upwind
formulation Equation 5.227 (p. 194), due to Prakash [53]. In this formulation, the bulk fluid enthalpy is
carried out of the outgoing phase, as in the default upwind formulation. However, the saturation enthalpy
is carried into the incoming phase. Thus:
(5.253)
Evaporation starts in the microscopic cavities and crevices, which are always present on the solid surface.
Liquid becomes supersaturated locally in these nucleation sites, leading to the growth of vapor bubbles
at the sites. The bubbles become detached from the sites when they are sufficiently large that external
forces (inertial, gravitational, or turbulent) exceed the surface tension forces that keep them attached
to the wall. As the bubbles depart from the wall, they are displaced by superheated liquid in the vicinity
of the nucleation sites, after which the nucleation site is free to create another bubble. In regions of
the wall not affected by bubble growth, the wall heat transfer to the liquid may be described by single
phase convective heat transfer.
It is clear that detailed physics of bubble growth is very complex, and occurs on very small length scales
in the vicinity of the wall. It is unrealistic to model the detailed physics in a phase-averaged Eulerian
multiphase model. It is also unrealistic to resolve the small length scales with ultra-fine meshes. The
model described here is a so-called mechanistic model, which aims to model the important physical
sub-processes using engineering correlations. The model is a sub-grid scale model, in the sense that
the complex physics is assumed to take place in a vicinity very close to the wall that is smaller than the
mesh resolution at the wall.
The first and most well-known model of this kind was formulated by Kurul and Podowski (1991) [159],
from the Rensselaer Polytechnic Institute. It is known as the RPI model. In this model, a number of the
sub-models of the overall mechanistic model were taken from correlations originally developed for ex-
ploitation in one-dimensional thermo-hydraulic simulation methods. This model was implemented in
CFX-4, with the near-wall distance taking the place of the centerline wall distance in the one-dimensional
models. Unfortunately, this lead to results that were strongly mesh-dependent.
In the implementation in CFX-5.7.1, Egorov et al. formulated modifications of the one-dimensional cor-
relations with the aim of restoring mesh independence to the results. This modification of the original
RPI model is described here.
For more information about the wall boiling model and its usage, see Wall Boiling Model in the CFX-
Solver Modeling Guide.
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Hence, the mechanistic heat partitioning model has the following general structure:
where is consumed for heating the sub-cooled liquid, and is the evaporation heat flux. is further
assumed to be partitioned into two sub-processes:
where is the heat flux corresponding to convective heat transfer, and is the heat flux corresponding
to quenching. Hence, in total, there is a three-way partition:
In this model, vapor is assumed to be saturated everywhere, and no part of the wall heat flux is arranged
for superheating of the vapor phase.
The heat partitioning model considers the whole wall surface as being separated into two fractions:
The wall area fraction represents the part of the wall surface that does not 'feel' the presence of the
vapor phase. The wall heat flux for this part of the surface is modeled in a similar way as for the single-
phase flow of pure liquid, by using the turbulent wall function procedure in the case of the turbulent
flow. This part of , called the convective heat flux , can be correlated for turbulent flow as:
where is the temperature of the solid wall, is the temperature of the liquid at the wall, and is
the turbulent heat transfer coefficient, which depends on the velocity field and on the near-wall grid
cell size. Kurul and Podowski (1991) [159] modeled using a one-dimensional Stanton number correl-
ation. Egorov and Menter (2004) [163] modeled using the turbulent wall function.
The wall area fraction represents the remaining part of the wall surface, which exchanges heat with
both phases. The already mentioned heat flux comes from this part of the surface and is consumed
for evaporation of the initially sub-cooled liquid:
(5.254)
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Interphase Mass Transfer
where is the evaporation mass transfer rate per unit wall area, and and are the specific en-
thalpies of the saturated vapor and sub-cooled liquid, respectively.
A part of the heat flux to the liquid, coming from the wall area fraction , is transported between the
bubble departure and the next bubble formation at the same nucleation site. This additional mechanism
of heating the liquid phase is called quenching, and is modeled as:
The area fraction values and play an important role in the heat-partitioning model. They are related
to the nucleation site density per unit wall area and to the influence area of a single bubble forming
at the wall nucleation site. The latter value is modeled by introducing the bubble departure diameter
value , which can generally serve as a length scale of the wall boiling mechanism. The RPI model
assumes that the diameter of the bubble influence zone is twice as large as , therefore the non-di-
mensional area fraction of the bubble influence is:
(5.255)
Here the implicitly assumed factor of 2 for the diameter of the bubble influence can be user-specified.
It should be noted that, for the evaporation rate and corresponding heat flux (Equa-
tion 5.254 (p. 200)), the upper limit of Equation 5.255 (p. 201) for bubble influence area fraction does not
apply. Instead of using a factor of as defined by Equation 5.255 (p. 201), the value is directly modeled
as being proportional to the nucleation site density .
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The model for wall nucleation site density adopted in the RPI model is that of Lemmert and Chawla
(1977) [164]:
Note that the wall superheat in the above equation cannot be negative. Its negative value means that
the wall temperature drops below the saturation temperature, where there is no boiling and the heat
partitioning model is not used.
This model was implemented in CFX-4 with parameter , giving an overall correction factor of
. Egorov and Menter (2004) [163], conjecturing that this was a deliberate alteration by the RPI group,
related to the corresponding factor in the bubble waiting time model. Egorov and Menter also reformu-
lated the correlation as follows:
Alternative correlations have been proposed for nucleation site density by Kocamustafaogullari and
Ishii (1983) [160].
Kurul and Podowski (1991) [159] adopted the correlation for bubble departure diameter due to Tolub-
inski and Kostanchuk (1970) [165]:
(5.256)
Note that the model is strongly dependent on a liquid temperature scale. In the original experimental
data, this was taken as the pipe center-line temperature. CFX-4 used the cell-center value in near wall
cells, but this proved to give mesh-dependent results. Egorov and Menter restored mesh independence
by using the logarithmic form of the wall function to estimate the liquid temperature, , at a fixed
value of . ANSYS CFX uses this method, with a user-modifiable value of .
The computation of the evaporation rate requires an additional model parameter, namely the frequency
of the bubble detachment from the nucleation site. The model adopted by Kurul and Podowski is that
due to Cole (1960) [166]:
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Note that, due to its dependence on gravity, this correlation is taken from pool boiling. It is simply es-
timated as the bubble rise velocity divided by the bubble departure diameter. The drag coefficient
factor was taken to be unity by Ceumern-Lindenstjerna (1977) [169].
Kurul and Podowski (1991) [159] employed the model of Tolubinski and Kostanchuk (1970) [165]. This
fixes the waiting time between departures of consecutive bubbles at 80% of the bubble detachment
period:
(5.257)
Recall from Partitioning of the Wall Heat Flux (p. 200) that Kurul and Podowski assumed a diameter of
influence of a nucleating bubble equal to twice the bubble departure diameter . Encoding this as a
user-modifiable parameter (default value = 2), the area fraction of the bubble influence is given by:
The area fraction subjected to single phase liquid convective heat transfer is limited from below by
a small value, so its actual form is:
As discussed in Partitioning of the Wall Heat Flux (p. 200), single phase convective heat transfer to the
liquid phase is modeled using the turbulent wall function (Egorov and Menter 2004 [163]).
This replaces the mesh dependent Stanton Number correlation originally employed by Kurul and
Podowski (1991) [159].
As discussed in Partitioning of the Wall Heat Flux (p. 200), quenching heat transfer to the liquid phase
in the area of influence of the vapor phase is modeled using a quenching heat transfer coefficient:
In order to close the model, the quenching heat transfer coefficient , participating in the quenching
heat flux to liquid, must be defined. This value depends on the waiting time between the bubble de-
parture and the next bubble formation.
With this value, the quenching heat transfer coefficient is correlated as:
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where is the liquid temperature conductivity coefficient. (Mikic and Rohsenow 1969 [167],
Del Valle and Kenning 1985 [168]).
As for the case of bubble departure diameter, Egorov and Menter (2004) [163] used the logarithmic
form of the wall function to estimate the liquid temperature at a fixed value of 250.
Knowing the bubble departure frequency, as well as the bubble size and the nucleation site density,
one can obtain the evaporation rate as a product of the bubble mass, the detachment frequency and
the site density:
This was the form adopted by Kurul and Podowski (1991) [159].
Egorov and Menter expressed the evaporation rate in terms the non-limited area fraction :
(unlike , can exceed 1). In this case, the evaporation rate obtains the form:
which is an extension of the Kurul and Podowski expression and coincides with it when the Parameter
is equal to 2 (default value).
In the final form of the evaporation rate, the area fraction factor is limited by:
(5.258)
defaults to 0.5.
In the case of an isothermal wall, the three components of the heat flux are computed explicitly as
functions of the given wall superheat. However, in the case of a wall with specified total heat flux, or
specified wall heat transfer coefficient and outside temperature, the above equation determines
implicitly as a function of the total heat supplied to the wall. In this case, is computed by solving
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Interphase Mass Transfer
the nonlinear equation using the binary chop method. The resulting value of
is subsequently used to determine the three individual components of the wall heat partition.
Important
If you want to use the User Specified option for any of the sub-models described in Sub-
models for the Wall Boiling Model (p. 201), and if you want any of these to be functions of
the wall superheat, then it is important to use the correct name for this variable. As the wall
boiling model is described as a phase-pair model, this variable is a phase-pair based variable
named Tsuperheat. For example:
= water | steam.Tsuperheat
It is not appropriate to use a phase-specific temperature field at the wall, such as water.Tem-
perature, to determine as this variable does not participate in the binary chop algorithm
to determine the wall superheat.
(5.259)
where is a reference pressure for the flow (for example, inlet pressure), is the vapor pressure for
the liquid, and the denominator represents the dynamic pressure. Clearly, the tendency for a flow to
cavitate increases as the cavitation number is decreased.
Cavitation is treated separately from thermal phase change, as the cavitation process is typically too
rapid for the assumption of thermal equilibrium at the interface to be correct. In the simplest cavitation
models, mass transfer is driven by purely mechanical effects, namely liquid-vapor pressure differences,
rather than thermal effects. Current research is directed towards models that take both effects into ac-
count.
In CFX, the Rayleigh Plesset model is implemented in the multiphase framework as an interphase mass
transfer model. User-defined models can also be implemented.
(5.260)
where represents the bubble radius, is the pressure in the bubble (assumed to be the vapor
pressure at the liquid temperature), is the pressure in the liquid surrounding the bubble, is the liquid
density, and is the surface tension coefficient between the liquid and vapor. Note that this is derived
from a mechanical balance, assuming no thermal barriers to bubble growth. Neglecting the second
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order terms (which is appropriate for low oscillation frequencies) and the surface tension, this equation
reduces to:
(5.261)
(5.262)
(5.263)
If there are bubbles per unit volume, the volume fraction may be expressed as:
(5.264)
and the total interphase mass transfer rate per unit volume is:
(5.265)
This expression has been derived assuming bubble growth (vaporization). It can be generalized to include
condensation as follows:
(5.266)
where is an empirical factor that may differ for condensation and vaporization, designed to account
for the fact that they may occur at different rates (condensation is usually much slower than vaporization).
For modeling purposes the bubble radius will be replaced by the nucleation site radius .
Despite the fact that Equation 5.266 (p. 206) has been generalized for vaporization and condensation,
it requires further modification in the case of vaporization.
Vaporization is initiated at nucleation sites (most commonly non-condensable gases). As the vapor
volume fraction increases, the nucleation site density must decrease accordingly, because there is less
liquid. For vaporization, in Equation 5.266 (p. 206) is replaced by to give:
(5.267)
where is the volume fraction of the nucleation sites. Equation 5.266 (p. 206) is maintained in the
case of condensation.
To obtain an interphase mass transfer rate, further assumptions regarding the bubble concentration
and radius are required. The Rayleigh-Plesset cavitation model implemented in CFX uses the following
defaults for the model parameters:
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Interphase Mass Transfer
For an illustration and a validation of the Rayleigh-Plesset cavitation model see Bakir et al. [148]
When using a user-defined cavitation model, the CFX-Solver will perform generic linearizations for the
volume fraction and volume continuity equations to help stability and convergence. The saturation
pressure is used by the CFX-Solver in linearizing the cavitation rate against pressure.
The Droplet Condensation Model differs from the Thermal Phase Change model (see The Thermal Phase
Change Model (p. 198)) in that the droplet diameter is calculated as part of the model rather than as a
user input. This leads to improved accuracy. In order to do this a transport equation for droplet number
must also be solved, which has as its source term nucleation contributions. This model differs from the
Equilibrium Phase Change model (see Equilibrium Phase Change Model in the CFX-Solver Modeling
Guide) in that it does not assume the flow to instantaneously reach equilibrium conditions, and therefore
implicitly includes losses due to thermodynamic irreversibility.
In the following discussion, we consider a homogeneous multiphase system, in which the droplets move
with the same velocity as the continuous phase. However, the model has been generalized to inhomo-
geneous systems as well.
The system of equations involves one continuous phase and any number of dispersed (condensed)
phases. The condensed phases travel at the speed of the continuous phase. Any combination of con-
densed phases can exist in the solution so that for the continuous phase, mass conservation becomes:
(5.268)
where the mass sources are summed over the condensed phases. The condensed phases can change
size by condensation or evaporation.
(5.269)
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where each dispersed phase has a corresponding number equation of the form:
(5.270)
and is the nucleation model with units defined as the number of droplets generated per unit time
per unit volume of vapor and is the nucleated droplet mass based on the critical radius . Note
that the droplets are transported with the mixture velocity because no slip is assumed between the
phases. The usual constraint applies for the volume fractions where:
(5.271)
In addition, global continuity and momentum equations are also solved as described in Homogeneous
Hydrodynamic Equations (p. 157). The continuous phase energy equation, in total enthalpy form, is
(5.272)
where a similar energy transport equation can be applied for the dispersed phases, either in the context
of small or large droplets as will be discussed subsequently. The Droplet Condensation model can be
used for both small and large droplets. However, small and large droplets use different models for heat
transfer and phase change. For large droplets, the heat transfer and phase change models described
by the Thermal Phase Change model should be used. For small droplets (less than 1 ) the Small
Droplet heat transfer model is appropriate; it sets the droplet temperature to
(5.273)
where refers to the saturation temperature, refers to the supercooling level in gas phase, is
the droplet radius, and is the critical radius at formation of the dispersed phase.
For small droplets, the interphase heat and mass transfer models are also modified to include the influ-
ence of the Knudsen ( ) number on the Nusselt number. The dependence is required because
droplet sizes vary significantly from the initial nucleated radius (in a non-continuum regime) in the
range of angstroms. The droplet growth rate is:
(5.274)
which is subsequently used to compute the interphase mass transfer rate in conjunction with an inter-
facial area density to be described later in this section.
The source of droplets into the domain is based on a nucleation model, which for classical nucleation
models has the form of:
(5.275)
where is a constant determined by the particular nucleation model, is the Gibbs free energy change
at the critical radius conditions, is Boltzmann's constant, and is the supercooled vapor temperature.
To compute the Gibbs free energy change a property database must be used that evaluates supercooled
state properties. This requires an equation of state for the vapor phase amenable to extrapolation into
regions within the saturation zone. The IAPWS and Redlich Kwong equations of state satisfy this require-
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Free Surface Flow
ment. A user-defined nucleation model can also be applied, enabling different homogeneous or hetero-
geneous nucleation models to be employed.
The interaction between the phases by mass transfer depends on calculating the droplet diameter,
which, if a monodispersed distribution is assumed for droplets with a common origin, can be determined
from the droplet number, . The relevant equation is then:
(5.276)
(5.277)
The interfacial mass transfer term can then be computed with the known droplet growth rate and the
interfacial area density:
(5.278)
where is an upwinded total enthalpy, its value either for the continuous or dispersed phase depending
on the direction of interphase mass transfer. In addition, is the heat transfer (per unit area) between
the dispersed and continuous phase based on:
(5.280)
Since the droplets in condensing systems are generally quite small (less than 1 ), it is assumed that
the droplet temperature is uniform (a zero resistance model between the droplet surface and its internal
temperature). This implies that almost all of the heat transfer either comes from the continuous phase
during evaporation or goes into it during condensation.
The Nusselt ( ) number underlying Equation 5.274 (p. 208) and Equation 5.280 (p. 209) is corrected to
account for droplet sizes that span a wide Knudsen number ( ) range (from free-molecular to con-
tinuum). The Nusselt number applied is:
(5.281)
5.14.1. Implementation
The implementation of free surface flow in CFX is essentially the same as multiphase (homogeneous
or inhomogeneous) along with some special discretization options to keep the interface sharp. These
include:
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Multiphase Flow Theory
A compressive differencing scheme for the advection of volume fractions in the volume fraction equations.
A compressive transient scheme for the volume fraction equations (if the problem is transient).
Special treatment of the pressure gradient and gravity terms to ensure that the flow remain well behaved
at the interface.
Define a Primary Fluid (the liquid phase) and a Secondary Fluid (usually a gas phase). The surface
tension force given by the Continuum Surface Force model is:
(5.282)
where:
(5.283)
(5.284)
where is the surface tension coefficient, is the interface normal vector pointing from the primary
fluid to the secondary fluid (calculated from the gradient of a smoothed volume fraction), is the
gradient operator on the interface and is the surface curvature defined by:
(5.285)
The two terms summed on the right hand side of Equation 5.283 (p. 210) reflect the normal and tangential
components of the surface tension force respectively. The normal component arises from the interface
curvature and the tangential component from variations in the surface tension coefficient (the Marangoni
effect).
The term is often called the interface delta function; it is zero away from the interface, thereby en-
suring that the surface tension force is active only near to the interface.
When the interface between the two fluids intersects a wall, it is possible to account for wall adhesion
by specifying the contact angle, , which the interface makes with the wall through the primary fluid.
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Free Surface Flow
The interface normal vector used for the calculations of both curvature and the surface tension force
must satisfy the wall contact angle.
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Chapter 6: Particle Transport Theory
Particle transport modeling is a type of multiphase model, where particulates are tracked through the
flow in a Lagrangian way, rather than being modeled as an extra Eulerian phase. The full particulate
phase is modeled by just a sample of individual particles. The tracking is carried out by forming a set
of ordinary differential equations in time for each particle, consisting of equations for position, velocity,
temperature, and masses of species. These equations are then integrated using a simple integration
method to calculate the behavior of the particles as they traverse the flow domain.
The following section describes the methodology used to track the particles.
The application of Lagrangian tracking in CFX involves the integration of particle paths through the
discretized domain. Individual particles are tracked from their injection point until they escape the domain
or some integration limit criterion is met. Each particle is injected, in turn, to obtain an average of all
particle tracks and to generate source terms to the fluid mass, momentum and energy equations. Because
each particle is tracked from its injection point to final destination, the tracking procedure is applicable
to steady-state flow analysis.
The following sections describe the methodology used to track the particles.
6.1.1. Calculation of Particle Variables
6.1.2. Interphase Transfer Through Source Terms
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Particle Transport Theory
where the superscripts o and n refer to old and new values respectively, and is the initial particle
velocity. In forward integration, the particle velocity calculated at the start of the timestep is assumed
to prevail over the entire step. At the end of the timestep, the new particle velocity is calculated using
the analytical solution to the particle momentum equation:
(6.2)
is the sum of all forces acting on a particle. This equation is an example of the generic transport
equation:
(6.3)
where is a generic transported variable, subscript indicates the value of the variable in the surround-
ing fluid, is a linearization coefficient and is a general nonlinear source. The analytical solution of
the generic transport equation above can be written as:
(6.4)
The fluid properties are taken from the start of the timestep.
In the calculation of forces and values for and , many fluid variables, such as density, viscosity and
velocity are needed at the position of the particle. These variables are always obtained accurately by
calculating the element in which the particle is traveling, calculating the computational position within
the element, and using the underlying shape functions of the discretization algorithm to interpolate
from the vertices to the particle position.
The flow prediction of the two phases in one-way coupled systems is relatively straightforward. The
fluid flow field may be calculated irrespective of the particle trajectories. One-way coupling may be an
acceptable approximation in flows with low dispersed phase loadings where particles have a negligible
influence on the fluid flow.
Two-way coupling requires that the particle source terms are included in the fluid momentum equations.
The momentum sources could be due to turbulent dispersion forces or drag. The particle source terms
are generated for each particle as they are tracked through the flow. Particle sources are applied in the
control volume that the particle is in during the timestep.
The particle sources to the fluid momentum equations are obtained by solving transport equations for
the sources. The generic equation for particle sources is:
(6.5)
Where are the contributions from the particles that are linear in the solution variable and
contains all other contributions, including when appropriate a mass transfer term . This
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Momentum Transfer
equation has the same form as the general particle transport and is solved in the same way as outlined
above.
The source, S, to be added to the continuous phase is then multiplied by the number flow rate for that
particle, which is the mass flow rate divided by the mass of the particle.
In CFX, the particle source terms are recalculated each time particles are injected. The source terms are
then retained in memory in order that they may be applied each time the fluid coefficients are calculated.
Thus, the particle sources may be applied even though particles have not been injected in the current
flow calculation.
: virtual (or added) mass force. This is the force to accelerate the virtual mass of the fluid in the volume
occupied by the particle. This term is important when the displaced fluid mass exceeds the particle mass,
such as in the motion of bubbles.
: pressure gradient force. This is the force applied on the particle due to the pressure gradient in the fluid
surrounding the particle caused by fluid acceleration. It is only significant when the fluid density is comparable
to or greater than the particle density.
: Basset force or history term that accounts for the deviation in flow pattern from a steady state. This
term is not implemented in CFX.
The left hand side of Equation 6.6 (p. 215) can be modified due to the special form of the virtual mass
term (see Virtual or Added Mass Force (p. 217)), which leads to the following form of the particle velocity:
(6.7)
Only a part of the virtual mass term, , remains on the right hand side. The particle and fluid mass
values are given by:
(6.8)
with the particle diameter as well as the fluid and particle densities and . The ratio of the ori-
ginal particle mass and the effective particle mass (due to the virtual mass term correction) is stored in
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Particle Transport Theory
(6.9)
Each term on the right hand side of Equation 6.10 (p. 216) can potentially be linearized with respect to
the particle velocity variable , leading to the following equation for each term:
(6.11)
The following sections show the contribution of all terms to the right hand side values and the lin-
earization coefficient .
where is the drag coefficient and is the effective particle cross-section. The drag coefficient, ,
is introduced to account for experimental results on the viscous drag of a solid sphere. The coefficient
is calculated in the same way as for Eulerian-Eulerian multiphase flow.
Using the new variable , this leads to the following contribution to the right hand
side and linearization coefficient of Equation 6.7 (p. 215):
(6.13)
(6.14)
The particle momentum source due to drag is calculated from the following equation:
(6.15)
The source, , added to the continuous phase is then multiplied with the number rate for that particle.
(6.16)
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Momentum Transfer
This leads to the following contribution to the right hand side of Equation 6.7 (p. 215):
(6.17)
The buoyancy force has no contribution to the particle momentum source into the continuous phase.
As described elsewhere (see Pressure Gradient Force (p. 218) and Virtual or Added Mass Force (p. 217)),
the implemented rotation term also contains contributions from the pressure gradient and the virtual
mass force due to the domain rotation, which leads to the following final contribution of the rotation
term to the right hand side of Equation 6.7 (p. 215).
(6.19)
where
if neither pressure gradient nor virtual mass force is taken into account
if pressure gradient and virtual mass forces are taken into account
The rotation force has no contribution to the particle momentum source into the continuous phase.
(6.21)
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Particle Transport Theory
If the virtual mass force is included, the coefficient is normally set to 1. However, when the virtual
mass force is not included, then effectively has the value zero, and is equal to 1. The second
part of the right hand side contains the particle velocity deviation, hence, it can be brought to the left
hand side of the particle momentum equation (see Equation 6.7 (p. 215)), leading to a modified effective
mass. Considering only steady-state flows, the remaining term can be written as
(6.22)
leading to the following contribution to the right hand side of Equation 6.7 (p. 215):
(6.23)
with
(6.24)
necessary if the particles are solved in a rotating system. The term is shifted to the rotation term
(see Equation 6.19 (p. 217)), therefore, the implemented virtual mass term reduces to
(6.25)
The particle momentum source due to the virtual mass force is computed from:
(6.26)
This force is only important if large fluids pressure gradients exist and if the particle density is smaller
than or similar to the fluid density. Neglecting diffusive and source terms in the steady-state momentum
equation, the pressure gradient can be replaced by the velocity gradient. Assuming a constant fluids
density, the pressure gradient force can be written as
(6.28)
Note
The pressure gradient force is currently not available for transient simulations.
leading to the following contribution to the right hand side of Equation 6.7 (p. 215):
(6.29)
with
(6.30)
necessary if the particles are solved in a rotating system. The term is shifted to the rotation term
(see Equation 6.19 (p. 217)), therefore, the implemented pressure gradient term reduces to
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Momentum Transfer
(6.31)
The particle momentum source due to the pressure gradient force is computed from:
(6.32)
In turbulent tracking, the instantaneous fluid velocity is decomposed into mean, , and fluctuating,
, components. Now particle trajectories are not deterministic and two identical particles, injected
from a single point, at different times, may follow separate trajectories due to the random nature of
the instantaneous fluid velocity. It is the fluctuating component of the fluid velocity that causes the
dispersion of particles in a turbulent flow.
The model of turbulent dispersion of particles that is used, which is due to Gosman and Ioannides [147],
assumes that a particle is always within a single turbulent eddy. Each eddy has a characteristic fluctuating
velocity, , lifetime, , and length, l e. When a particle enters the eddy, the fluctuating velocity for
that eddy is added to the local mean fluid velocity to obtain the instantaneous fluid velocity used in
Equation 6.19 (p. 217). The turbulent fluid velocity, , is assumed to prevail as long as the particle/eddy
interaction time is less than the eddy lifetime and the displacement of the particle relative to the eddy
is less than the eddy length. If either of these conditions is exceeded, the particle is assumed to be
entering a new eddy with new characteristic , , and l e.
The turbulent velocity, eddy and length and lifetime are calculated based on the local turbulence
properties of the flow:
(6.33)
(6.34)
where k and are the local turbulent kinetic energy and dissipation, respectively, and is a turbulence
constant. The factor was chosen to relate the characteristic length scale to the eddy dissipation
length [39]. The variable is a normally distributed random number which accounts for the randomness
of turbulence about a mean value. Because of this randomness, each component of the fluctuating
velocity may have a different value in each eddy.
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Particle Transport Theory
computational time; therefore, this is most often performed as a post-process where there is only one
particle iteration.
If turbulent dispersion is used in an iterative situation, it may not be possible to achieve complete
convergence because of the stochastic nature of the sources to the continuous phase, although the
random number generator used in determining the eddies is reset on each particle iteration.
where is the thermal conductivity of the fluid, and are the temperatures of the fluid and of
the particle, and is the Nusselt number given by:
(6.36)
where is the specific heat of the fluid, and and are the fluid dynamic viscosity and thermal
conductivity respectively.
For cases including multiphase reactions, the convective heat transfer has a blowing correction based
on the rate of mass transfer from the particle:
(6.37)
where is given by
(6.38)
and is the total mass transfer rate of the particle. This modification can be omitted by using the
expert parameter setting: pt heat transfer blowing correction = f.
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Heat and Mass Transfer
The heat transfer associated with mass transfer is given by the relation:
(6.39)
where the sum is taken over all components of the particle for which heat transfer is taking place. The
latent heat of vaporization is temperature-dependent, and is obtained directly from the MATERIALS
information for the liquid in the particle and its vapor.
The radiative heat transfer, , for a particle with diameter , uniform temperature , and emissivity
, is given by:
(6.40)
where is the Radiation Intensity on the particle surface at the location of the particle, is the Refractive
Index of the fluid, and is the Stefan-Boltzmann constant. An equivalent amount of heat can be removed
from the radiation field.
The rate of change of temperature for the particle is then obtained from:
(6.41)
where the sum in this equation is taken over all components of the particle including those not affected
by mass transfer.
In this equation, is the mass of the constituent in the particle, is the mass fraction of component
in the particle, is the mass fraction of component in the surrounding fluid, is the equilibrium
mass fraction ratio, is the dynamic diffusivity of the mass fraction in the continuum, and is
the Sherwood number given by:
(6.44)
The simple model assumes that the mass transfer is driven only by concentration differences. While this
may be appropriate in some situations, such as solids having a small moisture content, it does not ad-
equately account for the vapor pressure dependence on particle temperature, which is imported for
evaporating liquids. In these situations, the liquid evaporation model, presented below, is more appro-
priate.
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Particle Transport Theory
(6.45)
The boiling point is determined through an Antoine equation (vapor pressure equation that describes
the relation between vapor pressure and temperature for pure components, see Antoine Equation in
the CFX-Solver Modeling Guide) that is given by
(6.46)
where , and are user-supplied coefficients. The particle is boiling if the vapor pressure, , is
greater than the ambient gas pressure, .
When the particle is above the boiling point, the mass transfer is determined by:
(6.47)
where is the latent heat of evaporation of the particle component and where and are the
convective and radiative heat transfers, respectively.
When the particle is below the boiling point, the mass transfer is given by:
(6.48)
where is the droplet diameter, is the dynamic diffusivity of the component in the continuum
and is the Sherwood number (see Equation 6.44 (p. 221)). and are the molecular weights of
the vapor and the mixture in the continuous phase, is the equilibrium vapor mole fraction of the
evaporating component at the droplet surface, and is the mole fraction of the evaporating com-
ponent in the gas phase.
These assumptions imply that the liquids in a multi-component particle form an ideal mixture. By
definition an ideal mixture is one which obeys Raoult's law (where the vapor pressure of an ideal mixture
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Heat and Mass Transfer
is dependent on the vapor pressure of each chemical component and the mole fraction of the component
present in the mixture).
The more dissimilar the nature of the substances, the more strongly the solution is expected to deviate
from ideality.
(6.50)
where is the vapor pressure of a pure component and is the mole fraction of component
in the liquid phase. The vapor pressure of a pure component, is determined from an Antoine
equation. This equation has the following form:
(6.51)
Inserting Equation 6.51 (p. 223) into Equation 6.50 (p. 223) allows the calculation of the total vapor pressure
of the mixture as follows:
(6.52)
It can be seen that the total vapor pressure is a function of the material properties of the components,
the particle temperature, as well as the instantaneous composition of the evaporating droplet.
A particle is assumed to be boiling if the total vapor pressure, , of all evaporating components is
equal to or larger than the ambient gas pressure, :
If the total vapor pressure is below the ambient gas pressure, the particle is assumed to not boil.
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Particle Transport Theory
The mass transfer of a single particle component can be derived from the mass conservation equation
and can be written in the following form (see, for example, Abramzon and Sirignano [201] and Sazhin
[202])
(6.53)
where is the droplet diameter, is the dynamic diffusivity of the component in the continuum,
is the Sherwood number, and where and are the molecular weights of the vapor of com-
ponent and the mixture in the continuous phase. is the mole fraction of the vapor of component
in the continuum, is the equilibrium vapor mole fraction of component at the droplet surface.
For the calculation of the molar concentration of component on the particle surface, , again the
assumption of Raoults law is applied:
(6.54)
The total mass flow rate is computed as the sum of the mass flow rates of all evaporating components:
(6.55)
When the particle reaches the boiling point, the mass transfer is determined by the convective and ra-
diative heat transfer:
(6.56)
where is the latent heat of evaporation of component , and where and are the convective
and radiative heat transfer, respectively.
In order to determine the evaporation rate of a particular particle component, an additional assumption
is required. It is assumed that the evaporation rate of each component is proportional to the ratio of
the vapor pressure of this component to the total vapor pressure:
(6.57)
(6.58)
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Heat and Mass Transfer
(6.59)
and substituting it into Equation 6.56 (p. 224) gives the total mass transfer rate:
(6.60)
Using Equation 6.59 (p. 225) and Equation 6.60 (p. 225) the following equation for the mass transfer of
component can be derived:
(6.61)
with the modified latent heat (averaged with the molar concentration):
(6.62)
Note that this modified latent heat is only used for the computation of the mass transfer rates in
Equation 6.61 (p. 225).
6.3.5. Reactions
The only reactions allowed are generic Arrhenius reactions, and some specific char reactions for coal
combustion. The reactions determine the rate of change of species in the particle and the continuous
phase, and the amount of heat released in the two phases.
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Particle Transport Theory
(6.63)
where is the mass of reactant , V is the particle volume, is the order of reactant , and
(6.64)
where refers to the reference material, and is the latent heat at the particle temperature.
The rate of diffusion of oxygen per unit area of particle surface is given by kd(Xg-XS), where Xg is the
mole fraction of oxygen in the furnace gases far from the particle boundary layer and XS is the mole
fraction of oxygen at the particle surface. The value of kd is given by:
(6.67)
where:
PA is atmospheric pressure
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Heat and Mass Transfer
Dref is the dynamic diffusivity (recommended value is 1.8e-5 [kg m^-1 s^-1])
The char oxidation rate per unit area of particle surface is given by kcXS. The chemical rate coefficient
kc is given by:
(6.68)
where:
The parameters Ac and Tc depend on the type of coal, and are specified as input parameters.
Recommended values for Ac and Tc are 497 [kg m^-2 s^-1] and 8540 K [80].
By equating the diffusion rate and the chemical reaction rate to eliminate XS, the overall char reaction
rate of a particle is given by:
(6.69)
6.3.5.3.2. Gibb
The oxidation mechanism of carbon can be characterized by the parameter so that oxides are produced
according to the equation:
(6.70)
(6.71)
By solving the oxygen diffusion equation analytically, the following equation is obtained for the rate
of decrease in the char mass mc:
(6.72)
The far field oxygen concentration is taken to be the time-averaged value obtained from the gas
phase calculation, and c is the density of the char. Physically, k1 is the rate of external diffusion, k2 is
the surface reaction rate, and k3 represents the rate of internal diffusion and surface reaction. These are
defined as follows:
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Particle Transport Theory
(6.73)
where D is the external diffusion coefficient of oxygen in the surrounding gas. The coefficient is calculated
in the same way as for the Field model, except in this model, kinematic diffusivity is used instead of
dynamic diffusivity:
(6.74)
where:
Dref is the dynamic diffusivity (recommended value is 1.8e-5 [kg m^-1 s^-1])
where kc is the carbon oxidation rate, defined by the modified Arrhenius equation
(6.76)
The default values of the model constants are Ac = 14 [m s^-1 K^-1] and Tc = 21580 K. Further:
(6.77)
where:
(6.78)
The pore diffusivity, Dp, is computed from external diffusivity, D, according to:
(6.79)
Note that the units of k1, k2 and k3 for this model are s-1, and the units for kc in Equation 6.76 (p. 228)
differ from those in Equation 6.68 (p. 227) in the Field model. "effic" is the so-called "internal diffusion
efficiency" and describes the effective internal diffusion coefficient of oxygen within the particle pores.
It is a user-accessible CCL parameter.
The value of the particle emissivity is expected to change as pyrolysis proceeds (that is, it varies de-
pending upon the mass fractions of coal and char). The present model assumes a linear variation in
from the raw coal value (coal) to the value for char (char). That is:
(6.80)
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Heat and Mass Transfer
where fv is the fractional yield of volatiles. Typical values for are 1 for coal and 0.6 for char.
Gas phase combustion is modeled by means of regular single phase reactions. A transport equation is
solved in the fluid for each material given off by the particles. The volatiles may be either a pure sub-
stance, a fixed composition mixture, or several independent materials.
The devolatilization and char oxidation processes can occur on time scales on the order of milliseconds,
which are several orders of magnitude less than the typical residence time of the particle in the furnace.
Large variations in time scales can result in numerically stiff equations, which can cause accuracy
problems with explicit integration algorithms. The CFX implementation of the particle transport model
bases its timestep on the reaction rate to ensure that the solution has the required accuracy.
6.3.5.5.3. Devolatilization
Devolatilization can be modeled by one or more reaction steps using the generic Arrhenius multiphase
reactions capability, although normally the process is represented by one or two reaction steps. The
simpler model is the single reaction model of Badzioch and Hawksley [78]. If, at time t, the coal particle
consists of mass fractions CO of raw (that is, unreacted) coal, Cch of residual char, and CA of ash, then
the rate of conversion of the raw coal is:
(6.81)
and the rate of production of volatiles in the gas phase is given by:
(6.82)
where Y is the actual yield of volatiles (that is, the proximate yield multiplied by a factor to correct for
the enhancement of yield due to rapid heating), so that the rate of char formation is:
(6.83)
(6.84)
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where TP is the temperature of coal particles (assumed uniform), R is the gas constant, and AV and EV
are constants determined experimentally for the particular coal.
Often the volatiles yield of a particular type of coal is known only from laboratory proximate analysis,
where the heating rate is low and the volatiles escaping from the coal may undergo secondary reactions
including cracking and carbon deposition on solid surfaces. It has been found experimentally that
volatiles released from pulverized coal particles widely dispersed in a gas and heated quickly to typical
furnace temperatures can produce a yield greater by as much as a factor of two than the proximate
value. If the single reaction model is used, it is difficult to know which data to use because the coal
particles experience a wide range of temperatures as they disperse in the furnace.
Bituminous coals generally have a volatiles yield that depends strongly on temperature and heating
rates. In such cases, it is important to take account of this dependence, for example by using a multiple
reaction model of devolatilization. As an alternative to the single reaction model, it is better to use the
model of Ubhayakar et al. [79] in which two reactions with different rate parameters and volatiles yields
compete to pyrolyse the raw coal. The first reaction dominates at lower particle temperatures and has
a lower yield Y1 than the yield Y2 of the second reaction, which dominates at higher temperatures. As
a result, the final yield of volatiles will depend on the temperature history of the particle, will increase
with temperature, and will lie somewhere between Y1 and Y2. In this model, the mass fraction of com-
bustible material (the raw coal) is specified as the mass fraction of volatiles because all this material
could be converted to volatiles.
Again it is assumed that a coal particle consists of mass fraction CO of raw coal, Cch of residual char
after devolatilization has occurred, and CA of ash. The rate constants k1 and k2 of the two reactions
determine the rate of conversion of the raw coal:
(6.85)
The initial value of CO is equal to (1-CA). The value of Y1, and parameters A1 and E1 which define k1 in
the Arrhenius equation, analogous to Equation 6.84 (p. 229), are obtained from proximate analysis of
the coal. Y2, A2 and E2 are obtained from high temperature pyrolysis. Note that the yields are defined
on a dry ash-free (DAF) basis.
Typically, the coal particle will swell due to the gas release during the devolatilization phase. The
model assumes that the particle diameter changes in proportion to the volatiles released and the frac-
tional increase in the mean diameter of the coal particle after complete devolatilization must be specified
as input to the model. The particle diameter change due to swelling is calculated using the following
relation:
(6.88)
where:
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When the swelling coefficient is equal to 0.0, the particle diameter stays constant during devolatilization.
The primary input data corresponds 1-to-1 to what, typically, is available from standard analysis of the
solid or liquid fuel:
Proximate analysis (mass fractions of ash, moisture, fixed carbon, and volatiles)
Ultimate analysis (mass fractions of carbon, hydrogen, oxygen, nitrogen, sulfur, and chlorine)
Some additional input data is required by the solver, for which the default values should be appropriate
in many cases:
Volatiles yield enhancement: Ratio of actual yield under rapid heating to that determined at a slow heating
rate in the proximate analysis.
Automatic: Computes average molar mass from volatiles elementary composition, assuming a mixture
of CH4, CO, H2, and H2O
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Initial mass fractions for particle (ash, char and raw combustible).
Note that initial char mass fraction will typically be zero, as char is produced from raw combustible
during pyrolysis.
NO reburn by fuel.
Char oxidation.
These calculations are performed using a model fuel determined by the fuel analysis data. The model
fuel has all chlorine removed but accounts for the oxygen needed to oxidize sulfur to SO2. Nitrogen is
included into the model fuel if the multiphase reactions are setup to release HCN to the gas phase,
otherwise, the fuel nitrogen is removed.
The total amount of material released to the gas phase during devolatilization is the actual volatiles
yield plus the moisture. Carbon, hydrogen and oxygen content of the volatiles are computed from ulti-
mate analysis, which in turn defines the stoichiometric coefficients in the gas phase reactions involving
the volatiles material. When the fuel nitrogen model is selected, corrections are made in order to account
for the carbon and hydrogen released as HCN.
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Basic Erosion Models
(6.89)
where is a dimensionless mass, is the particle impact velocity and is a dimensionless function
of the impact angle. The impact angle is the angle in radians between the approaching particle track
and the wall. The value of the exponent, , is generally in the range 2.3 to 2.5 for metals.
Finnies model of erosive wear [64] relates the rate of wear to the rate of kinetic energy of impact of
particles on the surface, using :
(6.90)
where:
(6.91)
(6.92)
where is equal to .
V0 Wall Material
952 [m/s] Aluminum
661 [m/s] Copper
1310 [m/s] Mild Steel
3321 [m/s] Hardened Steel
where:
(6.94)
(6.95)
(6.96)
(6.97)
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Here is the dimensionless mass (mass of eroded wall material divided by the mass of particle). is
the particle impact velocity. is the impact angle in radians between the approaching particle track
and the wall, being the angle of maximum erosion. to , and are model constants and
depend on the particle/wall material combination.
(6.98)
where:
(6.99)
(6.100)
(6.101)
(6.102)
Note
The Tabakoff model typically returns an erosive wear with the dimensions milligrams of
eroded material per gram of colliding particles. In CFX, this variable is converted into grams
of eroded material per gram of colliding particles.
6.4.2.1.2. Constants
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Spray Breakup Models
where:
(6.103)
(6.104)
(6.105)
as an individual representative particle represents many actual particles. Here is the mass of the
particle and is its number rate. The overall erosion of the wall is then the sum over all particles. This
gives an erosion rate in kg/s, and an erosion rate density variable in the res file and post-processor in
kg/s/m2. Note that this erosion rate is only a qualitative guide to erosion, unless precise values for the
model constants are known.
The following sections give an overview about the spray breakup models that are implemented in ANSYS
CFX 18.1:
6.5.1. Primary Breakup/Atomization Models
6.5.2. Secondary Breakup Models
6.5.3. Dynamic Drag Models
The radius, velocity, and spray angle parameters are influenced by the internal nozzle flow (cavitation
and turbulence induced disturbances), as well as by the instabilities on the liquid-gas interface.
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For the Blob, Enhanced Blob, and the LISA model, the initial injection spray angle must be specified
explicitly, while for the Turbulence Induced Atomization model, the spray angle is computed within the
model.
A large variety of approaches of different complexities are documented in literature. For a comprehensive
model overview, see Baumgarten et al. [120].
Assuming non-cavitating flow inside the nozzle, it is possible to compute the droplet injection velocity
by conservation of mass:
(6.107)
is the nozzle cross-section and the mass flow rate injected through the nozzle.
The spray angle is either known or can be determined from empirical correlations. The blob method
does not require any special settings and it is the default injection approach in CFX.
During the injection process, the model determines if the flow inside the nozzle is cavitating or not and
dynamically changes the injection particle diameter and the particle injection velocity. The decision,
whether the flow is cavitating or not, is based on the value of the static pressure at the vena contracta,
, that is compared to the vapor pressure, .
(6.108)
with:
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Spray Breakup Models
(6.109)
is the coefficient of contraction that depends on nozzle geometry factor, such as nozzle length versus
nozzle diameter or the nozzle entrance sharpness [114].
If is higher than the vapor pressure, , the flow remains in the liquid phase and the injection
velocity is set equal to .
(6.110)
However, if is lower than , it is assumed that the flow inside the nozzle is cavitating and
the new effective injection velocity, , and injection diameter, , are computed from a momentum
balance from the vena contracta to the nozzle exit (2):
(6.111)
and:
(6.112)
with:
(6.113)
Injection total pressure of the liquid - This information is required to compute the static pressure of the liquid
at the vena contracta.
Injection total temperature of the liquid - This information is required to compute the static temperature
of the liquid at the vena contracta, which is required to determine the fluid vapor pressure from an Antoine
equation (homogeneous binary mixture).
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Particle Transport Theory
Two options are available to compute the material vapor pressure: Automatic and Particle
Material Vapor Pressure.
To specify the material vapor pressure directly, use the Particle Material Vapor Pressure
option.
To have CFX compute the particle material vapor pressure from a homogeneous binary mixture, use the
Automatic option.
Normal distance of the pressure probe from the injection center - The fluid pressure at this position (marked
as position 2 in Figure 6.2: Enhanced-blob Method (p. 237)) will be used to determine the acceleration of the
liquid from the vena contract to the injection nozzle outlet.
In direct-injection spark ignition engines, pressure swirl atomizers are often used in order to establish
hollow cone sprays. These sprays are typically characterized by high atomization efficiencies. With
pressure swirl injectors, the fuel is set into a rotational motion and the resulting centrifugal forces lead
to a formation of a thin liquid film along the injector walls, surrounding an air core at the center of the
injector. Outside the injection nozzle, the tangential motion of the fuel is transformed into a radial
component and a liquid sheet is formed. This sheet is subject to aerodynamic instabilities that cause it
to break up into ligaments.
Within the LISA model, the injection process is divided into two stages:
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Spray Breakup Models
where is the mass flow rate through the injector, is the particle density, and is the injector exit
diameter. The quantity is the axial velocity component of the film at the injector exit and depends
on internal details of the injector. In CFX, is calculated using the approach of Han et al. [127]. It is
assumed that the total velocity, , is related to the injector pressure by the following relation:
(6.115)
where is the pressure difference across the injector and is the discharge coefficient, which is
computed from:
(6.116)
Assuming that is known, the total injection velocity can be computed from Equation 6.115 (p. 239).
The axial film velocity component, , is then derived from:
(6.117)
where is the spray angle, which is assumed to be known. At this point, the thickness, , and axial
velocity component of the liquid film are known at the injector exit. Note that the computed film
thickness, , will be equal to half the injector nozzle diameter if the discharge coefficient, , is larger
than 0.7. The tangential component of velocity ( ) is assumed to be equal to the radial velocity
component of the liquid sheet downstream of the nozzle exit. The axial component of velocity is assumed
to remain constant.
The model assumes that a two-dimensional, viscous, incompressible liquid sheet of thickness moves
with velocity through a quiescent, inviscid, incompressible gas medium. A spectrum of infinitesimal
disturbances is imposed on the initially steady motion, and is given in terms of the wave amplitude, ,
as:
(6.118)
where is the initial wave amplitude, is the wave number, is the complex
growth rate, is the streamwise film coordinate, and is the time. The most unstable disturbance, ,
has the largest value of and is assumed to be responsible for sheet breakup.
As derived by Senecal et al. [126], can be computed by finding the maximum of the following equation:
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(6.119)
here , that is, the ratio of local gas density to particle densities , and is the surface
tension coefficient. Once is known, the breakup length, , and the breakup time, , are given by:
(6.120)
(6.121)
where is the critical wave amplitude at breakup and is an empirical sheet constant with
a default value of 12.
The unknown diameter, , of the ligaments at the breakup point is obtained from a mass balance. For
wavelengths that are long compared to the sheet thickness ( ; here the Weber Number,
, is based on half the film thickness and the gas density), is given by:
(6.122)
using the long wave ligament factor, , of 8.0 (default) and is the wave number corresponding to
the maximum growth rate, .
For wavelengths that are short compared to the sheet thickness, is given by:
(6.123)
In this case, the short wave ligament factor, , of 16.0 (default) is used and is given by:
(6.124)
The most probable droplet diameter that is formed from the ligaments is determined from:
(6.125)
using the droplet diameter size factor of 1.88 (default) and is the particle Ohnesorge number that
is defined as:
(6.126)
where is the Weber Number based on half the film thickness and the gas density. is the
Reynolds Number based on the slip velocity.
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Spray Breakup Models
The LISA model requires knowledge of downstream density. The solver finds this density by probing
the flow-field at a user-defined distance downstream of the injection location. This distance is a user
input given via Density Probe Normal Distance option in CFX-Pre.
Swirl Definition
To add swirl to the flow of particles that stream from the injection region, select the Swirl Definition
check box and then specify a non-dimensional value to impart a tangential velocity. The value that
you specify is multiplied by the magnitude of the axial velocity (the axial velocity being directed
normal to the injector inlet area, with a magnitude that satisfies mass continuity) in order to establish
the (single) value for tangential velocity, to be applied over the entire injector inlet area. The direction
of swirl depends on whether you specify a positive or negative value; the positive swirl direction is
established by using the right-hand rule and the injector axis.
For a complete list of required and optional settings for the LISA model and primary breakup models in
general, see Settings for Particle Primary Breakup in the CFX-Pre User's Guide.
(6.127)
The model does not take effects of cavitation into account, but assumes that the turbulence at the
nozzle exit completely represents the influence of the nozzle characteristics on the atomization process.
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Nozzle length/diameter ratio - This is required for the calculation of the average turbulence kinetic energy
and dissipation rates.
Nozzle discharge coefficient - This is the ratio of mass flow through nozzle to theoretically possible mass
flow and can be specified optionally.
Primary breakup model support will only be available for particle injection regions and not for boundary
condition.
On particle injection regions, primary breakup will only be available for cone type injection, and only if the
nozzle cross sectional area is larger than 0.
Breakup regimes are typically classified in terms of the dimensionless numbers: Weber Number ( )
and Ohnesorge number ( ), as given by:
(6.128)
(6.129)
where the subscript refers to the droplet (particle) and the subscript refers to the surrounding fluid.
Sometimes, the Weber number is defined using the particle radius, .
If a droplet is exposed to a gas flow, significant deformation starts at a Weber number of unity. Above
a certain value of the Weber number, the droplet deformation leads to breakup. Typically, the following
breakup regimes are observed [117]:
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Spray Breakup Models
(6.130)
is the droplet radius prior to breakup, is the new radius for the stable droplet and is the
characteristic breakup time. Values for and t are calculated from the equations given in the fol-
lowing section:
(6.131)
and
(6.132)
( ):
(6.133)
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and
(6.134)
The model constants , , and of the Reitz & Diwakar breakup model are accessible via
CCL. The standard values of the constants are given in Table 6.1: Reitz and Diwakar breakup model
constants and their default values (p. 244).
Table 6.1: Reitz and Diwakar breakup model constants and their default values
Con- Value CCL Name
stant
Time Factor for Bag Breakup
20 Time Factor for Stripping
6.0 Critical Weber Number for Bag
0.5 Weber Number Factor for
Stripping
(6.136)
The second phase of breakup, which is characterized by further distortion of the droplet to its final
destruction, is modeled by the following correlations:
(6.137)
Note that the last two breakup regimes are an extension to the originally proposed model by Schmehl
and are based on experimental findings given by [117].
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Spray Breakup Models
Breakup can only occur if the droplet Weber number, , is larger than the critical Weber number,
, where:
(6.139)
Depending on the Weber number regime at the beginning of the breakup process, the following droplet
breakup scenarios are possible:
In this regime, the breakup occurs in the second half of the to time frame.
Child droplet sizes and normal velocity of children after breakup are computed.
If the particle life time exceeds the breakup time, then breakup occurs.
In this regime, the breakup occurs in the second half of the to time frame.
Child droplet sizes and normal velocity of children after breakup are computed.
If the particle life time exceeds the breakup time, then breakup occurs.
In this regime, the breakup can occur any time between and time frame.
Child droplet sizes and normal velocity of children after breakup are computed.
If the particle life time exceeds the breakup time, then breakup occurs.
Droplet size after breakup for the Bag Breakup and Multimode regimes is computed from the following
relation:
(6.140)
with:
(6.141)
In the Shear Breakup regime, the child droplet size, , is computed as:
(6.142)
where is the maximum stable diameter computed from the critical Weber number, ,
with:
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(6.143)
Except for the Shear Breakup regime, all child droplets inherit their parent's velocity and an additional
velocity component, , which is given by:
(6.144)
The velocity component is assumed to be in a plane normal to the parent droplet velocity direction.
Its circumferential orientation within this plane cannot be specified and is chosen randomly. The total
child droplet velocity is then determined from:
(6.145)
(6.146)
Integration of this equation leads to the following time-dependent particle distortion equation:
(6.147)
with:
(6.148)
(6.149)
(6.150)
and are the initial values of distortion and distortion rate of change. For the TAB model, and
are typically taken as zero.
During particle tracking, Equation 6.108 (p. 236) is solved for the dimensionless particle distortion.
Breakup only occurs if the particle distortion y exceeds unity, which means that the deviation of the
particle equator from its equilibrium position has become larger than half the droplet radius.
The Sauter mean radius of the child droplets after breakup is calculated from the following expression:
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Spray Breakup Models
(6.151)
that is based on the conservation of surface energy and energy bound in the distortion and oscillation
of the parent droplet and surface energy and kinetic energy of the child droplets.
The TAB model has been used to determine the normal velocity of the child droplets after breakup. At
the time of breakup, the equator of the parent droplet moves at a velocity of in a direction
normal to the parent droplet path. This velocity is taken as the normal velocity component of the child
droplets and the spray angle can be determined from:
(6.152)
After breakup of the parent droplet, the deformation parameters of the child droplet are set to
.
The following user accessible model constants are available for the TAB breakup model.
Table 6.2: TAB Breakup Model Constants and their Default Values
Con- Value CCL Name
stant
0.5 Critical Amplitude Coefficient
5.0 Damping Coefficient
1/3 External Force Coefficient
8.0 Restoring Force Coefficient
1.0 New Droplet Velocity Factor
10/3 Energy Ratio Factor
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(6.153)
(6.154)
with being the Weber number that divides the bag breakup regime from the stripping breakup
regime. is set to default value of 80. Assuming a uniform droplet size distribution, the following
ratio of child to parent droplet radii can be derived:
(6.155)
After breakup of the parent droplet, the deformation parameters of the child droplet are set to
. The child droplets inherit a velocity component normal to the path of the parent droplet
with a value:
(6.156)
(6.157)
with:
(6.158)
It has been observed that the TAB model often predicts a ratio of child to parent droplet that is too
small. This is mainly caused by the assumption, that the initial deformation parameters and
are zero upon injection, which may lead to far too short breakup times. The largely underestimated
breakup times in turn lead to an underprediction of global spray parameters such as the penetration
depth, as well as of local parameters such as the cross-sectional droplet size distribution. To overcome
this limitation Tanner [107] proposed to set the initial value of the rate of droplet deformation, ,
to the largest negative root of Equation 6.108 (p. 236):
(6.159)
while keeping the initial value of the droplet deformation, . is determined from the following
equation:
(6.160)
with C = 5.5
The effect of setting to a negative number is to delay the first breakup of the large initial droplets
and to extend their life span, which results in a more accurate simulation of the jet breakup.
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Spray Breakup Models
In addition to the TAB model constants, the following user accessible model constants are available for
the ETAB breakup model:
Table 6.3: ETAB Breakup Model Constants and Their Default Values
Con- Value CCL Name
stant
2/9 ETAB Bag Breakup Factor
2/9 Stripping Breakup Factor
80 Critical Weber Number for Stripping
Breakup
(6.162)
where
(6.163)
and
(6.164)
The model constants , and have the same values as given for the TAB model. For details see
Table 6.2: TAB Breakup Model Constants and their Default Values (p. 247).
In addition to the TAB model constants, the following user accessible model constants are available for
the CAB breakup model:
Table 6.4: CAB Breakup Model Constants and Their Default Values
Con- Value CCL Name
stant
0.05 CAB Bag Breakup Factor
80 Critical Weber Number for Stripping
Breakup
350 Critical Weber Number for Catastrophic
Breakup
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Particle Transport Theory
In CFX, the following models are implemented that modify the drag coefficient depending on the
particle distortion:
y is a measure of the particle distortion. If the droplet is not distorted , then the drag coefficient
of a sphere will be obtained. If the particle is maximally distorted , then the drag coefficient of a
disk will be obtained. This drag model is only available for the TAB, ETAB and CAB breakup models.
Note
The Liu drag coefficient modification is activated by default for the TAB, ETAB, and CAB
breakup models.
with:
(6.168)
(6.169)
and:
(6.170)
The droplet aspect ratio, , and the particle distortion, , are related as follows:
(6.171)
This drag model is available for the Schmehl breakup model only. It is activated by default.
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Particle Collision Model
The particle-particle collision model ( PPCM) in ANSYS CFX takes inter-particle collisions and their effects
on the particle and gas phase into consideration. The model implemented into ANSYS CFX is the
stochastic particle-particle collision model by Oesterl & Petitjean [151] that has been extended by
Frank, Th. [149], Hussmann, B. et al. [150] and Sommerfeld [152].
Both the Euler-Euler multiphase model and the classical Euler-Lagrange model can approximate dense
gas-solid flows only roughly. The LPTM-PPCM (p. 251) model implemented in ANSYS CFX expands the
Euler-Lagrange model by a stochastic inter-particle collision model by enabling the so-called four-way
coupling. Hereby, the mutual influence of gas and particles is accounted for as well as the mutual inter-
action of (spherical) particles by means of binary collisions.
Stochastic determination
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which was adapted to LES-data of a homogeneous isotropic turbulence field by Lavieville, J., E. Deutsch,
and O. Simonin (1995) [153], is used to determine the fluctuating velocity of the virtual collision partner
as given below:
(6.173)
where the index 1 stands for the real particle and index 2 for the virtual particle, index represents the
three coordinate directions and the prime indicates a fluctuating part of the velocity. is the -th
component of the mean fluctuation velocity in the control volume. is a Gaussian random number
with zero mean and a standard deviation of unity. It represents the uncorrelated part of the fluctuation
velocity of the virtual particle. Its instantaneous velocity is the sum of the fluctuating part described
above and the local mean value. The collision frequency is then determined in analogy to the Kinetic
Theory of Gases [151], by the following equation:
(6.174)
where and represent the instantaneous velocities of the real particle 1 and its collision partner 2.
The diameter of the latter is sampled from a Gaussian distribution around the local average value. The
collision probability is a simple function of the collision frequency and the Lagrangian time step and is
calculated as follows:
(6.175)
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Particle Collision Model
The time step can be altered in the collision subroutine to ensure accuracy and stability of the calculation
by limiting it to . This allows for at most one binary collision per time step, as derived by
Sommerfeld, M. [152].
A uniformly distributed random number, , is then generated and compared to the collision probability
. If , the inter-particle collision is calculated deterministically. For , no collision occurs and
the velocity components of the real particle remain unchanged. In case of a collision, the location of
the virtual particle is determined in a stochastic way. The calculation of the position of the collision
partner relative to the real particle is done in a local coordinate system. The position is sampled randomly
from a uniform distribution on the collision cylinder cross-section and a distance of the center point
according to the sum of the two particle radii. Subsequently, the position of the virtual particle is
transformed back to the global system. A more detailed description is given by Frank, Th. (2002) [149].
At this stage, information on location, size and velocity of the virtual collision partner is known. The
next step is to determine the change in the velocity components caused by the collision. To identify
the post-collision velocities, the momentum transferred between the particles has to be determined.
For this purpose, it is again suitable to use a local coordinate system, different to the one mentioned
above and fixed to the real particle. To identify the post-collision velocities, the momentum transferred
between the particles has to be determined. Here a distinction is made between a sliding and a non-
sliding collision, if particle rotation is accounted for which affects the tangential components of .
During a non-sliding collision, the relative movement at the point of contact ceases; whereas during a
sliding collision, relative motion of the contact surfaces is maintained under the influence of sliding
friction.
The parameters used for the particle collision model are outlined below:
Coefficient of Restitution: Enter a numerical quantity or CEL based expression to specify the
value of coefficient of restitution for inter-particle collisions. A value of 1.0 means a fully elastic collision,
while a value of 0.0 would result in an inelastic collision.
See Implementation Theory in the CFX-Solver Theory Guide for more information on setting up
Coefficient of Restitution, Static Friction Coefficient, and Kinetic
Friction Coefficient.
User Defined
This option is available only if you have created a particle user routine to set up the model. Specify the
name of Particle User Routine and select input arguments and type of particle variables returned to the
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user routine from the Arguments and Variable List drop-down list, respectively. See Particle User Routines
in the CFX-Pre User's Guide for information on setting up a particle user routine.
The friction coefficient values are dependent on particle material and should be obtained from experi-
mental investigations. As another example, a suitable (static and kinetic) friction coefficient for the col-
lision of steel particles can be assumed to be equal to 0.15, while a value of about 0.4 is mentioned in
literature for glass particles. Furthermore, these values are dependent on the surface roughness of the
particle material and the degree of sphericity of the particle material in the flow and are therefore
subject to uncertainty.
Size of the integration time step of the Lagrange particle solver (User Fortran only) (p. 255)
The particle number density, , describes the number of particles per unit volume and is calculated
as follows:
(6.176)
In this expression, the sum is taken over all particles and all time-steps taken in the control volume of
each vertex. Here is the particle integration timestep and is the number rate for the particle.
is the volume of the control volume associated with the vertex.
The turbulent Stoke number, , is used for the calculation of the fluctuating velocity of the collision
partner of a droplet. The turbulent Stokes number is defined as the ratio of the aerodynamic relaxation
time, , and a characteristic eddy lifetime, .
(6.177)
With
(6.178)
and
(6.179)
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Particle Collision Model
The calculation of the collision partner requires the instantaneous, the mean, and the standard deviation
values of particle quantities. The standard deviations of the following variables are calculated and are
available for solver internal use, as well as for Particle User Fortran and postprocessing.
Particle Velocity
Particle Temperature
Particle Diameter
The standard deviation of a particle variable, , is calculated within the vertex variable machinery and
uses the following definition:
(6.180)
For information on vertex and RMS particle variables, see Particle Field Variables in the CFX Reference
Guide.
The particle integration time-step is passed to the collision model routine that is provided by the user.
The timestep size is required to calculate the collision frequency for that particular integration.
Note
The particle-integration timestep can be accessed by you but it can not be changed. The
only exception is made for the particle collision model when using Particle User Fortran. In
this case, the solver allows users to overwrite the Particle Integration Timestep
variable. This extension is required, as the integration timestep computed from the particle
tracker is typically 2 to 4 orders of magnitude larger than the one computed (and usually
needed) by the collision model routine. This ensures an accurate calculation of the droplet
collision in regions with high particle concentration. For details, see Implementation of a
Stochastic Particle-Particle Collision Model in ANSYS CFX (p. 251).
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Particle Transport Theory
phase. A fluid particle flow can either be characterized by the ratio of the mean time between particle-
particle collisions and the particle relaxation time:
(6.181)
or by the inter-particle spacing defined as the ratio of the distance between two particles in the flow
and the particle diameter:
(6.182)
A fluid-particle flow is particle-particle collision dominated, if the ratio < 1, it means that the time
between adjacent particle-particle collisions is too small in order to enable the particle to get accelerated
by aerodynamic forces to its normal slip velocity with the carrier fluid until the next particle-particle
collision occurs. This fairly well corresponds to an inter-particle spacing of less than 10 and the fluid-
particle flow is called a dense flow.
In the case of dense fluid-particle flow, it is necessary to additionally account for the direct particle-to-
particle momentum transfer. The PPCM model, in accordance with Oesterl & Petitjean and Sommerfeld,
accounts for this inter-particle momentum transfer by making the assumption that only binary particle
collisions occur in the intermediate regime between dilute fluid-particle flows and flow regimes in
packed and fluidized beds. For the latter conditions it is not sufficient to assume binary particle collisions
and therefore the PPCM model is not applicable to flow regimes, where multiple particles collide at the
same time or stay in direct frictional contact.
Also see Requirements for the Applicability of Particle-Particle Collision Model in the CFX-Solver Modeling
Guide.
Particle collisions only take place between particles of the same type.
Particle collisions are currently only supported for fully coupled particles.
Collisions are taken into account in transient simulations only after the second time step, because the PPCM
relies on volume-averaged particle properties, which are available only after the completed first time step.
Thus, averaged particle properties used in the PPCM for the generation of the virtual collision partner in
binary particle collisions lag behind by one time step. With , the model converges to the correct
particle property representation for the virtual collision partner in the PPCM, but for large integration time
steps the particle phase information seen by the tracked particle in the PPCM might be inaccurate.
Also see Requirements for the Applicability of Particle-Particle Collision Model in the CFX-Solver Modeling
Guide.
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Particle-Wall Interaction
ANSYS CFX uses advanced particle-wall interaction and quasi-static wall film models to address some
of the shortcomings found in ANSYS CFX 11.0 and previous releases (see the background informa-
tion (p. 257)). The following advanced particle-wall interaction models are available in ANSYS CFX:
Elsaesser particle-wall interaction model (p. 257) - This model accounts for all of the above listed influencing
factors during the particle droplet reflection.
Stick-to-wall model (p. 262) - This model enforces all particles that hit a wall to become part of the wall film.
For details on the implementation of quasi-static wall film in ANSYS CFX, see Quasi Static Wall Film
Model (p. 263).
In the case of a fully inelastic collision, the particle is collected at a wall; however, the corresponding
particle mass or energy is no longer available for the simulation. It is also not possible to explicitly account
for the effects of wall roughness or wall temperature during the particle-wall interaction.
This model is implemented in ANSYS CFX as per Elssser [175], however, with one exception that the
double droplet reflection used in the original formulation of Elssser is neglected.1
This section uses the following notation for the remaining part of the model description:
Incident parcel is designated with index 0; whereas,1 and consecutive integers are used for the reflected
parcels.
The wall can be dry or wetted with the restriction that the wall film fluid is identical to the particle fluid.
1
The governing equations used in the formulation of Elsaesser particle-wall interaction model in ANSYS CFX differ in some coefficient
values from those presented in Elssser [175].
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Particle Transport Theory
The limiting temperatures are called pure adhesion temperature, TPA, and pure rebound temperature,
TPR. The pure adhesion and the pure rebound temperatures are functions of the wall and particle ma-
terial combination. Further dependencies (such as particle velocity, surface roughness, drop size and
initial temperature) probably play an important role for dynamic impact but are neglected (usually done
in most models), as the influences are not well known. Only the material properties and the ambient
pressure are therefore considered. The correlations used by Elssser [175] to compute rebound and
adhesion temperatures are strictly valid only for a typical internal combustion engine application, which
involve the interaction of gasoline droplet on a wall material composed of aluminum.
Figure 6.6: Particle-wall interaction as a function of the incoming particle Weber number (We)
and the wall temperature (TWall)
If the incoming particle Weber number (WeP) is below a critical Weber number (Wecrit) and a wall film exists,
then the impinging droplet is reflected.
If the incoming particle Weber number is above a critical Weber number, then the incoming particle sticks
to the wall and forms a wall film (in the particle solver, this means that the particle type is changed from
regular particle to wall particle).
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Particle-Wall Interaction
If the incoming Weber number is increased further, then splashing occurs. In this case, part of the incoming
droplet sticks to the wall and only part of it is reflected back into the gas phase. In the current release of
ANSYS CFX, mass removal from the wall film is neglected.
6.7.2.1.2. Hot Wall with Wall Film (TPA < TWall < TRA)
In this temperature regime, also known as hot-wetting, the following impingement options are modeled
(see Figure 6.8: Particle-wall interactions for hot wall with wall film (p. 260)):
If the incoming particle Weber number is below a critical Weber number and a wall film exists, then the
impinging droplet is reflected.
If the incoming particle Weber number is above a critical Weber number and a wall film exists already, then
the incoming particle sticks to the wall and its mass is transferred to the wall film.
If the incoming particle Weber number is above a critical Weber number, then boiling and splashing are
possible and are allowed to occur independently of each other. Also, a part of the impinging droplet is
transferred into the wall film.
If the incoming Weber number is increased further, then splashing occurs. In this case, part of the incoming
droplet sticks to the wall and only part of it is reflected back into the gas phase. The mass removal from the
wall film is neglected.
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Particle Transport Theory
Figure 6.8: Particle-wall interactions for hot wall with wall film
If the incoming particle Weber number is below a critical Weber number, then the impinging droplet is re-
flected from the wall.
If the incoming particle Weber number is above a critical Weber number, then part of the incoming droplet
is reflected from the wall. The other part of the droplet disintegrates and forms child droplets that are also
reflected off the wall.
If the incoming Weber number is increased further, then pure breakup occurs (that is, the incoming droplets
complete disintegrates and form child droplets that reflect from the wall).
Figure 6.9: Particle-wall interaction for hot walls without wall film
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Particle-Wall Interaction
The Elsaesser model assumes an idealized 2D roughness profile in the impact plane of the drop. It is
presented as neighboring isosceles triangles with angle and a height of .
If a wall film exists, an effective film thickness, , between roughness elements is calculated from:
(6.183)
(6.184)
and
or
and
Particle with a non-dimensional size of larger than are unaffected by wall roughness, while for
smaller droplets the reflection is computed based on the virtual roughness angle, .
Note that contrary to the originally proposed model of Elssser [175], multiple reflections within one
roughness element are not considered.
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Particle Transport Theory
To run a simulation using the Elsaesser wall interaction model, the following input is required:
The particle solver automatically uses any roughness information you provided to simulate the droplet
reflection.
The Elsaesser model uses the child droplet generation capability of ANSYS CFX. This feature is turned on
automatically, if the Elsaesser (or any other) advanced particle-wall interaction model is selected. Particles
that have hit the wall and have been changed into wall particles are reported separately in the particle
fate section. The wall film is represented by wall particles and it is assumed that this film does not move
due to external forces. The wall film can exchange mass and energy with its surrounding, but no mo-
mentum.
6.7.4. The Sommerfeld-Frank Rough Wall Model (Particle Rough Wall Model)
The majority of industrially important disperse multiphase-flows are confined flows, such as flows in
cyclone separators or in pneumatic conveying pipe systems. The motion of large particles, which is
dominated by inertia, is strongly influenced by the confinement. Studies of the wall-collision process
have shown that irregularities due to wall-roughness and deviation of particle shape from a sphere play
important roles [208], [209], [210].
To account for the influence of wall roughness on the particle-wall collision, the irregular bouncing
model of Frank [211] is used. This model is based on the virtual wall model that was proposed by
Sommerfeld [212].
Figure 6.11: Particle-Wall Interaction at a rough wall. Definition of and characteristic roughness
element length scales
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Quasi Static Wall Film Model
In this model, it is assumed that the reflection of a particle at a rough wall can be modeled as the re-
flection of the particle at a virtual wall that is inclined with an angle of relative to the real wall. The
inclination angle is a function of the wall roughness scale and the particle diameter.
In the model of Frank [4] the inclination angle, , is sampled from a Gaussian distribution with a mean
value of 0 and a standard deviation of . The standard deviation depends on the particle diameter
and the roughness parameters. It is estimated as:
(6.185)
where:
is the mean cycle of roughness (the average distance between peaks of wall material)
6.8.1. Assumptions
The following main assumptions apply to the wall-film model:
The wall film thickness is thin and the wall film does not alter the geometry.
The existence of a wall film has no influence on the turbulence generation in the wall boundary layer.
Film particles are in direct contact to the wall and heat transfer from wall to film takes place by conduction.
Film particles originating from different particle types do not mix (that is, fuel droplets that hit oil-covered
walls do not interact with each other). In ANSYS CFX, the particle solver checks that only one particle type
can form a wall film on a domain boundary.
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Particle Transport Theory
The wall film model cannot be used together with dispersed Eulerian particles.
(6.187)
where is the conductive heat transfer coefficient and is the wall area covered by the particle.
This term is always included in the energy equation for wall particles.
In the flooded regime, is set equal to the wall film thickness, . The wall contact area is computed
from , with being the volume of the particle and the wall film thickness that was
computed at the previous time step.
where is the area covered by a wall particle, is the conservative gas temperature at the particle
position, and is the film heat transfer coefficient.
This term is always included in the energy equation for wall particles.
(6.189)
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Quasi Static Wall Film Model
The Nusselt number used for the calculation of is computed using the Ranz-Marshall correlation for
a sphere:
(6.190)
Note
The energy transfer coefficient is only available for turbulent flows. A physics check is added
to the tracker setup phase to make sure that you set the flow type to turbulent.
The Sherwood number is calculated using the Ranz-Marshall correlation for a sphere as:
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Particle Transport Theory
is the mass fraction of the particle component at the film surface, and is the surface diffusive
mass flux.
The surface mass flux can be expressed in terms of a mass transfer coefficient, , as:
(6.195)
is the mass fraction of the volatile particle component as obtained from the flow field solution. The
transfer coefficient, , is set equal to the transfer coefficient for scalars as computed by the flow solver.
Inserting Equation 6.195 (p. 266) into Equation 6.194 (p. 265) and solving for , gives:
(6.196)
(6.197)
where and is given by Equation 6.187 (p. 264) and Equation 6.188 (p. 264) respectively.
is computed in the same way as for regular particles.
(6.198)
Both situations are handled with the current approach without user interference. The distinction
whether wall particles move with a wall or move relative to the underlying mesh is based on the value
of the so called Wall Velocity, which is given as:
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Quasi Static Wall Film Model
When a particle has hit a wall face, the topological data of the impact is known and is stored in the
particle database. Because the particle does not move, there is no need to update this data during the
simulation.
6.8.7. User Control for Heat and Mass Transfer Terms of Wall Particles
In ANSYS CFX, the coupling of heat and mass transfer terms of wall particles into the coupled Eulerian
phase can be controlled, similar to the coupling control for regular particles. However, it is not possible
to control the coupling on a term-by-term basis, but the coupling is applicable on the global equation
level. This means that if the particle energy equation is run in a fully coupled mode, then this will not
only apply to regular particles, but also to wall bounded particles (and the wall film they represent).
Likewise, if the coupling of the energy equation is set to one-way coupled, then this also applies to the
wall particles of that particular particle type. The coupling control for wall particles is essentially
identical to what is currently done for regular particles. The same applies to the particle mass transfer
equation.
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Chapter 7: Combustion Theory
This chapter covers the implementation of the combustion models in the CFX-Solver and extends the
ideas covered in Multicomponent Flow (p. 39). You should be familiar with the multicomponent flow
chapter before reading this section.
The following sections outline the basis of the implementation of combustion modeling in CFX. First,
the transport equations for energy and the components are revisited, then the chemical reaction rate
computation is described, and finally, the computation of the rate of progress of a chemical reaction
is explained in the context of the Eddy Dissipation and Finite Rate Chemistry Models. Extinction is
modeled by setting the reaction rate locally to zero.
(7.1)
where the source term S I is due to the chemical reaction rate involving component I.
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Combustion Theory
(7.2)
where is the stoichiometric coefficient for component in the elementary reaction . The stoichiomet-
ric coefficients for reactants are denoted by a single dash, , and those for products by a double dash,
.
The rate of production/consumption, , for component can be computed as the sum of the rate of
progress for all the elementary reactions in which component participates:
(7.3)
where is the elementary reaction rate of progress for reaction , which in CFX can be calculated
using the Eddy Dissipation Model or/and the Finite Rate Chemistry Model. is the molar mass of
component .
While is directly specified, the turbulence time scale is computed from the CFD solution fields. One
possibility is to apply the Kolmogorov time scale:
(7.4)
This concept of reaction control is applicable in many industrial combustion problems where reaction
rates are fast compared to reactant mixing rates.
In the Eddy Dissipation model, the rate of progress of elementary reaction k, is determined by the
smallest of the two following expressions:
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The Finite Rate Chemistry Model
where [ I ] is the molar concentration of component I and I only includes the reactant components.
(7.8)
The products limiter is disabled when the model coefficient B is set to a negative value. For both single
step and multi-step reaction schemes, it is turned off by default, (set to -1), but may be turned on by
explicitly setting the model coefficient B to a positive value (although this is not recommended for
multistep reaction schemes).
where:
(7.10)
may be interpreted as a virtual concentration, which vanishes if the temperature is equal to the
maximum flame temperature. is the specific heat capacity of the fluid mixture at constant pressure
and is the reaction heat release per mole.
(7.11)
where [ I ] is the molar concentration of component I and F k and B k are the forward and backward
rate constants respectively.
r represent the reaction order of component I in the elementary reaction k. This reaction order is equal
to the stoichiometric coefficient for elementary reactions, but it can be different for certain global reac-
tions.
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Combustion Theory
The only built-in formula for the forward and backward rate constants assumes an Arrhenius temperature
dependence as:
(7.12)
(7.13)
where:
A k is pre-exponential factor
Separate sets of coefficients , and are applied to forward and backward rates.
(7.14)
For those components that have a high probability to participate in the reaction, the coefficient is
higher than those that rarely participate or do not participate at all ( ). If the third body term is
present in a reaction, CFX assumes the default efficiency for all components (Option = Default). Effi-
ciency factors can be specified for individual species by setting Option to Efficiency Factor
List and listing the components as well as their efficiency factors in the Materials List and Ef
ficiency Factor List parameters, respectively. If the Efficiency Factor List option is
effective, the default still applies to those components that are not listed.
The Theory documentation for this model is the same as for others:
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The Flamelet Model
A property of multicomponent fluids is that the mass fraction of any given component is bounded
between 0 and 1. Combustion tends to drive reactant concentrations towards the lower limit and
product concentrations toward the upper limit. If the timestep is large, the combustion sources may
cause scalars to exceed these bounds. Thus, the sources may need to be moderated to maintain phys-
ically realistic mass fractions.
The combustion sources in CFX have been linearized to prevent the formation of negative mass fractions.
Consider the solution of component I with the source term, R, which is calculated from Equa-
tion 7.15 (p. 273) in each control volume. To prevent the mass fraction of I from exceeding the bounds
of 0 to 1, the source term is calculated according to:
(7.15)
and is a small number (set to 10-6). The combustion reaction rate should approach 0 whenever any
of the reactant or product mass fractions approach 0. If the source is positive (for products), then the
first term on the right hand side of Equation 7.15 (p. 273) is zero and the source is:
(7.16)
otherwise:
(7.17)
Therefore, as , .
If the source is negative (reactants), then the second term on the right hand side of Equation 7.15 (p. 273)
is zero and the source is:
(7.18)
otherwise:
(7.19)
Therefore, as , .
This treatment of combustion sources enables larger timesteps to be used in calculating a steady-state
solution than would be possible without the linearization.
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Combustion Theory
The Flamelet model is a non equilibrium version of the classical Burke-Schumann limit. It adds new
details to the simulation of combustion processes compared to other common combustion models for
the price of the solution of only two scalar equations in the case of turbulent flow. An arbitrary number
of intermediates may be specified as long as their laminar chemistry is known.
The main advantage of the Flamelet model is that even though detailed information of molecular
transport processes and elementary kinetic reactions are included, the numerical resolution of small
length and time scales is not necessary. This avoids the well-known problems of solving highly nonlinear
kinetics in fluctuating flow fields and makes the method very robust. Only two scalar equations have
to be solved independent of the number of chemical species involved in the simulation. Information
of laminar model flames are pre-calculated and stored in a library to reduce computational time. On
the other hand, the model is still restricted by assumptions like fast chemistry or the neglecting of dif-
ferent Lewis numbers of the chemical species.
The coupling of laminar chemistry with the fluctuating turbulent flow field is done by a statistical
method. The PDF used can in principle be calculated at every point in the flow field by solving a PDF
transport equation as shown by Pope and many others. The most often mentioned advantage of this
method is that the nonlinear chemical source term needs no modeling. Even though the method avoids
some modeling that is necessary if using moment closure, it still requires modeling of some of the most
important terms, in particular, the fluctuating pressure gradient term and the molecular diffusion term.
If combustion occurs in thin layers as assumed here, the molecular diffusion term is closely coupled to
the reaction term and the problem of modeling the chemical source term is then shifted towards
modeling the diffusion term.
However, there is no source term in the mixture fraction equation, which is the principal transport
equation in the Flamelet model. Therefore, a presumed beta-PDF, which is a commonly accepted choice,
is used here. Additionally, this avoids the extremely large computational efforts of calculating the PDF
in 3D with a Monte Carlo method.
The following list outlines the assumptions made to derive the Flamelet model:
Fast Chemistry
Two feed system, that is, fluid composition at boundaries must be pure fuel, pure oxidizer or a linear
blend of them.
Diffusion flames. For premixed or partially premixed combustion, the Flamelet model can be combined with
a model for reaction progress. For details, see Burning Velocity Model (Premixed or Partially Premixed) (p. 278).
Fluid properties, including temperature and density, are computed from the mean composition of the
fluid in the same way as for other combustion models, such as the Eddy Dissipation model.
The Flamelet model as implemented in CFX can be applied for non-adiabatic configurations. The only
limitation is that changes in the composition of the fluid due to different temperature and pressure
levels are not accounted for. However, the effect of heat loss and pressure on density and temperature
is taken into account. For heat losses occurring in many combustion devices, the influence of heat losses
on composition is sufficiently small to be neglected.
In a large number of industrial combustion devices, pure non-premixed combustion is less present than
premixed or partly premixed combustion. In CFX, a model for premixed and partially premixed combus-
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The Flamelet Model
tion is available, which involves the Flamelet model as a sub-model. For details, see Burning Velocity
Model (Premixed or Partially Premixed) (p. 278).
The assumption of local chemical equilibrium has often been used in modeling the fast chemistry regime.
For hydrocarbon flames, however, the assumption of local chemical equilibrium results in an over-pre-
diction of intermediates like CO and H2. This suggests that non equilibrium effects are important in
modeling these flames. Further essential non equilibrium effects are flame extinction, lift-off and blow-
out.
Another well known approach is the flame sheet model of Burke and Schuman often characterized as
'mixed is burned'. Here, only the mixture of the reactants is calculated and the chemistry is treated as
infinite fast and complete when mixing is complete. Therefore, combustion occurs in an infinitely thin
sheet at the surface of stoichiometric mixture. Again non equilibrium effects are not taken into account,
which are important if the strongly varying time scales of the turbulent flow fields approach those of
the chemical reactions.
Linan [42] was the first who incorporated non equilibrium effects in diffusion flames. He analyzed the
inner structure of the thin laminar flame sheet, referred to here as a Flamelet using an asymptotic de-
scription with a large Damkhler number as the expansion parameter. The Damkhler number is the
ratio of flow to chemical time scales:
(7.20)
Linans method is similar to Prandtl's boundary layer theory. The inner layer of the thin reaction sheet
with well defined structure is called Flamelet from now on. A more simple description of flamelets is
possible by using the mixture fraction, which is the sum of all elementary mass fractions:
(7.21)
which have its origin in a system consisting of fuel inlet (labeled 1) and oxidizer inlet (labeled 2). Here
is the mass fraction of species i, the mass fraction of a chemical element (such as C or H),
the molecular mass, and the number of elements in the molecule
(7.22)
Assuming equal diffusivities and heat capacities for all chemical components a conservation equation
for the mixture fraction Z can be derived by summing all species conservation equations, and the
chemical source terms therefore cancel exactly. The mixture fraction is not influenced by chemical reac-
tions because it deals with elements rather than molecules, and elements are not affected by chemistry.
(7.23)
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Combustion Theory
The isosurface determines the location of stoichiometric mixture. To be able to describe the
location of the flamelets anywhere in the flow field, a new coordinate system is introduced here. One
of its coordinates is locally perpendicular to the surface of stoichiometric mixture.
The transformation is shown for the temperature equation as an example. The 3 terms at the right hand
side represent chemical reactions, radiation and the transient pressure gradient, respectively. The last
is important for combustion involving fast changing pressure such as in closed burning chambers of a
piston engine.
(7.24)
(7.26)
(7.27)
(7.29)
Because the Flamelet is assumed to be thin, only gradients normal to the surface of stoichiometric
mixture are large, and all terms without a second derivative in respect to the mixture fraction Z can be
neglected. When this is done formally by introducing a stretched coordinate, it turns out that the re-
maining equation is essentially one dimensional. The same arguments apply for all other equations as
well:
(7.30)
Non equilibrium effects - the influence of the outer flow field on the inner reaction zone - are described
by the scalar dissipation rate at stoichiometric mixture.
(7.31)
It represents a reciprocal residence time that is increased by stretch effects of the flow field and reduced
by diffusion. At a critical value of the flame shows a threshold behavior and extinguishes. The
stretch in physical space leads to a reaction zone that is so thin that the production of heat cannot
balance the heat loss caused by conduction. The temperature drops to unburnt values and the reactions
freeze. `Freeze' means they are at lower temperatures and are much slower than the fluid time scales.
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The Flamelet Model
The important conclusion of this derivation is that flamelet structures in the presence of fast chemistry
can be described by one dimensional model flames. This will be used to model reacting turbulent flow
fields.
(7.32)
The Favre averaging is extensively explained in the theory documentation of CFX. Statistical information
on the mixture fraction is obtained from the variance of Z.
(7.33)
The structure of this equation is similar to the mixture fraction equation itself except for last two terms
on the right hand side. The first source term is the production and the second source term models the
dissipation of the variance. Here, stands for the scalar dissipation rate and is modeled in turbulent
flow using the empirical relation:
(7.34)
It includes the effects of strain as well as mixture fraction fluctuations. The standard set of model coef-
ficients in CFX is , and
The mean composition of the fluid is computed as a function of mean mixture fraction, mixture fraction
variance and scalar dissipation rate by look-up in a flamelet library:
(7.35)
The integration over the probability density function (PDF) is not carried out during the CFD calculation,
but is part of the generation process for the Flamelet library. For details, see Flamelet Libraries (p. 278).
The CFD solver looks up the preintegrated values from the library.
In principle, many types of PDF could be applied, but the most commonly agreed choice is the Beta-
PDF. The shape of is presumed to be that of a beta function ( -function):
(7.36)
(7.37)
The Beta-PDF is used for the Flamelet libraries shipped with CFX, and for libraries created with CFX-RIF.
For details, see CFX-RIF in the CFX-Solver Modeling Guide.
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Combustion Theory
Note that for the table look-up, the solver is actually using instead of ,i.e., the local value of the
scalar dissipation rate is applied instead of the value at stoichiometric mixture fraction. This is exact
only for stoichiometric mixture or for vanishing variance of mixture fraction (perfectly premixed case).
However, many radicals of interest, for example, OH radicals, have significant concentrations only at
stoichiometry and in its surrounding, which makes this approximation acceptable. In principle, could
be derived from the solution fields, but this would introduce errors, too, because it would require either
additional modeling or averaging over the computational domain.
A separate Flamelet library is required for each fuel and each combination of fuel/oxidizer inlet temper-
atures and pressure level. The libraries shipped with CFX are listed in Table 7.1: Flamelet libraries included
with CFX (p. 278). The files reside in the subdirectory: <CFXROOT>/etc/reactions-extra/flame-
let/
If more libraries are needed, these can be created with CFX-RIF. For details, see CFX-RIF in the CFX-
Solver Modeling Guide.
Note
The flamelet libraries shipped with ANSYS CFX are provided to illustrate the flamelet model
and the partially premixed model capabilities. Flamelet libraries calculated using CFX-RIF
may consider a larger number of components and a more detailed reaction mechanism. As
a result, the calculated mixture composition based on flamelet libraries calculated using CFX-
RIF may be more accurate.
Model for the progress of the global reaction: Burning Velocity Model (BVM), also called Turbulent Flame
Closure (TFC)
Model for the composition of the reacted and non-reacted fractions of the fluid: Laminar Flamelet with PDF
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Burning Velocity Model (Premixed or Partially Premixed)
The mass fractions in the non-reacted fraction of the fluid, , are obtained by linear blending of
fuel and oxidizer compositions. The species mass fractions in the burned fraction of the fluid, ,
are computed by applying the Flamelet model.
The composition of the fluid is determined by blending the compositions of the non-reacted state (fresh
gases) and the reacted state (burned gases), where corresponds to fresh materials and corres-
ponds to fully reacted materials.
In turbulent flow, a bimodal distribution of is assumed. At any given time and position in space the
fluid is considered to be either fresh materials or fully reacted. This assumption is justified if the chem-
ical reaction is fast compared to the integral turbulent time scales of the flow.
Then, the averaged reaction progress variable, , is the probability for the instantaneous state of the
fluid being reacted. The mean species composition of the fluid is computed according to:
(7.40)
For example, if , then the fluid at the given position will be fully reacted during 60% of time and
non-reacted during the remaining 40% of time.
(7.41)
The default value of the turbulent Schmidt number for the reaction progress variable is .
In the limits of pure fuel and pure oxidizer, the reaction progress is not well defined because burnt and
unburnt conditions correspond to the same physical state:
(7.42)
(7.43)
This poses the issue of which boundary value to specify for when the mixture is either pure fuel or
pure oxidizer. Even though different values for correspond to the same mixture composition, it is still
important to impose the proper value on the boundary, because it controls the combustion regime in
the domain after mixing has occurred:
In most cases, is appropriate for fuel inlets (in fact, if for fuel the Flamelet model could be
used and not solve for at all). For oxidizer inlets, the appropriate boundary value depends on the
mixing process in the domain:
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Combustion Theory
However, which case applies may not be known prior to the simulation. In case of a flow split, it may
even be that both cases occur for the same oxidizer inlet. In this situation, the artificial distinction
between burnt air ( ) and fresh air ( ) may cause unphysical behavior such as even fuel being
generated by mixing of products with fresh air. For example, mixing fresh air ( , ) with products
( , ) would result in a mixture that is only partially burnt ( , ). The reaction progress
of the resulting mixture equals the fraction of products , equivalent to fuel being re-established.
This is unphysical. The correct behavior would be obtained by mixing products with burnt air ( ,
).
Because for pure oxidizer, the weighted reaction progress is well defined to be . Linear com-
bination of the transport equations for and yields the following transport equation for the weighted
reaction progress:
(7.45)
The turbulent Schmidt number for the weighted reaction progress by default is . Because of the
formal derivation of the transport equation, its solution will be equivalent to solving for reaction progress
directly; that is, introducing the weighted reaction progress overcomes the boundary value issue for
reaction progress without changing the model. Reaction progress can be restored from mixture fraction
and the weighted reaction progress according to
(7.46)
The recipe for is ill-posed for . Therefore, numerical treatment is implemented in the limit of pure
oxidizer to smoothly blend both the reaction progress and its gradient to zero:
as
Default for ANSYS CFX 18.1 is to solve for weighted reaction progress. Expert control (CCL) is available
for reverting to the standard reaction progress equation:
FLUID MODELS:
Option = Burning Velocity Model
REACTION PROGRESS VARIABLE:
Option = Reaction Progress
# default: Weighted Reaction Progress
END
END
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Burning Velocity Model (BVM)
(7.47)
(7.48)
Where is the density of the unburnt mixture. Note that the molecular diffusion term for the reaction
progress is removed from the transport equation. The diffusive exchange of species and energy, which
makes the flame proceed in space, is already accounted for by the source term . However, turbulent
transport is a convective process and is modeled using the Eddy Diffusivity approximation.
The model is completed with a closure for the turbulent burning velocity . Accordingly, this type of
model is called Turbulent Burning Velocity Model (BVM). The concept has two significant advantages
compared to models based on molecular reaction rates:
1. In a given configuration, typically varies by only 1 order of magnitude. In contrast, molecular reaction
rates occurring in combustion of hydro-carbonates typically vary in the computational domain by several
orders of magnitude.
2. can be measured directly in experiments, i.e., data is available for the quantity that is modeled.
Further, the burning velocity directly determines target quantities of a simulation, such as flame position.
Thus, it is easier to derive and fine-tune accurate models for the burning velocity model than to do so
for approaches based on molecular reaction rates.
When the stoichiometric mixture fraction is known, the local equivalence ratio can be computed
from mixture fraction according to
(7.49)
The stoichiometric mixture fraction depends on the fuel and the oxygen content in the oxidizer and
is a property of the flamelet library.
Value
This option enables you to specify directly the stoichiometric mixture fraction used for calculating
the equivalence ratio.
Reactants
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Combustion Theory
For this option, the reactants and their stoichiometric coefficients for a representative global reaction
are specified. For example, for a single component fuel,
(7.50)
The stoichiometric mixture fraction is computed using the reactants stoichiometric coefficients and
the corresponding species mass fractions in the fuel and oxidizer streams, respectively. The species
mass fractions in the fuel and in the oxidizer are obtained from the flamelet library.
Automatic
This option derives the stoichiometric mixture fraction from the flamelet library requiring no additional
information. The numerical procedure is described below.
Figure 1 shows the qualitative behavior of mass fractions for fuel and oxygen plotted over mixture
fraction (hydrogen/air in the example).
One can observe that the oxygen concentration is approximately linear below and above the stoichiomet-
ric mixture fraction: linear decay on the lean side and constantly zero on the fuel side. Obviously, the
curvature of the curve is close to zero except near the sharp bend at stoichiometric mixture fraction.
This observation is generalized to establish the following procedure
The stoichiometric mixture fraction approximated by the point of maximum curvature for oxygen mass
fraction, or , is
(7.52)
This is a heuristic approach and only provides an approximation. You should check the plausibility of
the calculated value, which is reported to the solver output file. For details, see CFX-Solver Output File
(Combustion Runs) in the CFX-Solver Manager User's Guide.
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Laminar Burning Velocity
Physically, the laminar burning velocity depends on the fuel, the equivalence ratio, the temperature of
the unburnt mixture (preheating) and on pressure. Depending on the configuration in the simulation,
it may be possible sometimes to neglect preheat and pressure dependencies. However, for partially
premixed combustion, it is very important to account for the dependency on equivalence ratio. Specific-
ally, the flammability limits have to be obeyed.
7.11.1. Value
User-defined laminar burning velocity, . It is recommended that you account for dependency on the
fuel/oxidizer ratio by making the expression depend on the equivalence ratio or the mixture fraction.
Properties of the unburnt mixture (temperature, density, specific heat capacity, thermal conductivity)
may be used in the expression in order to account for preheating or mixture dependency.
(7.53)
The exponents for preheat dependency and for pressure dependency are quadratic polynomials in
equivalence ratio:
(7.54)
(7.55)
When all three coefficients are set to zero, then the preheat dependency or the pressure dependency
is disabled. For reference burning velocity, the following options are available:
All three options specify the flammability limits for fuel-lean and for fuel-rich mixtures, and .
The burning velocity is set to zero if the local equivalence ratio is out of these bounds.
This polynomial is evaluated on a specified fit range, . Outside this range, the burning
velocity is modeled to linearly decay to zero at the flammability limit.
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This quadratic function is evaluated on a specified fit range, . Outside this range, the
burning velocity is modeled to linearly decay to zero at the flammability limit.
where and .
(7.58)
where denotes the molar fraction (volume fraction) of the residual material and is a coefficient
function of the equivalence ratio:
(7.59)
In combination with the residual material model, the values of , and are calculated using the
equivalence ratio conditioned to the fresh mixture without residual material.
The residual material dependency in the laminar burning velocity correlation is optional. The default
residual material dependency coefficient is constant zero, that is, no residual material dependency.
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Turbulent Burning Velocity
carbon index. Table 7.2: Fuel Dependent Coefficients for Metghalchi and Keck Laminar Burning Velocity
Correlation (p. 285) lists the coefficients for methane, propane and iso-octane (gasoline), respectively.
Table 7.2: Fuel Dependent Coefficients for Metghalchi and Keck Laminar Burning Velocity
Correlation
Carbon Fuel
Index [m/s] [m/s]
1 Methane 0.35 -1.387 1.06 0.533 1.68
3 Propane 0.342 -1.387 1.08 0.536 2.50
8 Iso-octane 0.263 -0.847 1.13 0.601 3.80
For fuels with other carbon indices the coefficients are obtained by linear interpolation of the provided
values. Fit range, preheat dependency and pressure dependency are modeled independent of the fuel
(Table 7.3: Common Coefficients for Metghalchi and Keck Laminar Burning Velocity Correlation (p. 285)).
Table 7.3: Common Coefficients for Metghalchi and Keck Laminar Burning Velocity Correlation
The burning velocity is defined relative to the unburnt fluid. Relative to the burnt fluid, it will be higher
by a factor equal to the fluid expansion ratio, .
7.12.1. Value
This option can be used to implement user models for turbulent burning velocity. Typically, this will
include expressions using laminar burning velocity and turbulence quantities.
The leading factor, , is a modeling coefficient that has the universal value (default), with the
exception of H2/Air flames where is recommended [41].
The stretching factor, , accounts for reduction of the flame velocity due to large strain rate (large dis-
sipation rate of the turbulent kinetic energy). This effect is modeled in terms of the probability for tur-
bulence eddy dissipation, , being larger than a critical value . For , flamelet extinction takes
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Combustion Theory
place, while for , the stretching effect is ignored completely. Assuming a lognormal distribution
for , the stretching factor is given by:
(7.61)
where denotes the complimentary error function and is the standard deviation
of the distribution of , with being an empirical model coefficient (default ).
is the thermal diffusivity of the unburned mixture. The turbulent flame speed closure model is
completed with the following models for integral velocity fluctuations level:
(7.62)
The critical dissipation rate, , is computed from a specified critical velocity gradient, , and the
kinematic viscosity of the fluid, , according to:
(7.65)
For steady laminar flow the critical velocity gradient for quenching, , can be obtained numerically.
However, for turbulent flows, the critical value must be larger than in laminar cases because the smallest
turbulent eddies, which are responsible for the largest strain rates, do not persist long enough to quench
a flame front locally. Furthermore, different model problems may result in significant variation of the
critical values obtained. For these reasons, the quenching critical velocity gradient has to be tuned for
industrial simulations. In fact, it is the only significant parameter for tuning the model.
Theory or numerical modeling can suggest a range of physically plausible values of . For example,
the inverse of the chemical time scale of the reaction, , scaled by a factor in the range 0.1 to 1.0 is
a reasonable starting point. For gas turbine combustion chambers (burning a lean methane/air mixture)
values in the range:
to
depending on the configuration, have been used successfully [40] [41] It should be noted that these
recommended values are for atmospheric temperature and pressure.
Table 7.4: Default Model Coefficients for the Zimont Turbulent Burning Velocity Correlation
Parameter Default
Value
0.5
0.28
10000
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Turbulent Burning Velocity
(7.66)
where , , , and .
Turbulence effects are modeled as a function of the ratio between the integral turbulence length scale,
, and the laminar flame thickness, .
(7.67)
(7.68)
The diffusion coefficient for the flame is computed from molecular properties of the unburnt mixture
indicated by the subscript u. The default values for the model constants are listed in Table 7.5: Default
Model Coefficients for Peters Turbulent Burning Velocity Correlation (p. 287).
Table 7.5: Default Model Coefficients for Peters Turbulent Burning Velocity Correlation
Coefficient Default
Value
0.37
0.78
2.0
1.0
, ,
Where is the laminar burning velocity at stoichiometric mixture fraction (equivalence ratio
). The laminar burning velocity is integrated over a presumed PDF accounting for fluctuations of
mixture fraction.
(7.69)
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Combustion Theory
The presumed PDF for mixture fraction is described in Coupling of Laminar Flamelet with the Turbulent
Flow Field (p. 277). Table 7.6: Default Model Coefficients for Mueller Turbulent Burning Velocity Correla-
tion (p. 288) lists the default values for the model coefficients.
Table 7.6: Default Model Coefficients for Mueller Turbulent Burning Velocity Correlation
Coefficient Default
Value
1.5
0.8
1.0 [1/s]
1.0
In order to describe the intensity and the location of the reaction zone the flame surface density is
introduced, which is defined as the area of flame surface per unit volume. The physical units are that
of an inverse length (for example, [1/m]). The reaction source in Equation 7.41 (p. 279) or Equa-
tion 7.45 (p. 280) is defined in terms of flame surface density as:
(7.70)
(7.71)
(7.73)
(7.74)
where the typical (default) values for and are 1.6 and 1.0, respectively.
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Extended Coherent Flame Model (ECFM)
Note that the production term and the destruction term are formulated in terms of the volumetric
reaction progress , in contrast to the specific reaction progress (Favre-average):
(7.76)
The flame surface density is a volumetric quantity, i.e. flame surface area per unit volume. In order
to be able to use the generic machinery for solving transport the specific flame surface density, , is
introduced as an auxiliary variable:
(7.77)
The specific flame surface density is the flame surface area per unit mass. Rewriting Equation 7.71 (p. 288)
in terms of leads to:
(7.79)
The volumetric transport Equation 7.71 (p. 288) and the specific transport Equation 7.79 (p. 289) are
equivalent. The specific form has the advantage that it has the same structure as other transport
equations, which are also in specific form, and therefore Equation 7.79 (p. 289) may be solved using the
same discretization schemes and numerical algorithms. The flame surface density becomes a dependent
variable and is calculated according to Equation 7.77 (p. 289).
(7.80)
where is the laminar flame speed, is the laminar flame thickness, is the mean turbulent
velocity fluctuation and is the integral length scale of turbulence, and,
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Combustion Theory
(7.81)
Where is the Thickness Multiplier with a default value of 2.0, is the Temperature Exponent with
a default value of 0.7 and is the diffusive flame thickness, which is scaled by a correction factor ac-
counting for the thermal expansion ratio in order to obtain the effective laminar flame thickness. Addi-
tional information on laminar flame thickness calculation can be found in the literature, for example in
[187].
The probability of a flamelet touching the wall is proportional to the fluctuation of the velocity compon-
ent normal to the wall, , multiplied by a factor in order to account for a 50% chance for the
fluctuation being directed towards the wall. This picture leads to a wall transfer coefficient equal to
, or the equivalent wall flux for flame surface density:
(7.82)
where is the flame surface density at the internal near-wall boundary element center node. The
sign of the flux is defined to be positive for flux in, and negative for flux going out.
The residual material does not participate in the combustion directly, but it does interact with the
mixture and the propagation of the flame. The most significant effects are:
Different mixture composition in chemical equilibrium because of lower temperature level and chemical
interaction of residual with products
For the dependency of the laminar burning velocity on the residual material concentration see also
section Equivalence Ratio Correlation (p. 283).
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Residual Material Model
1. The interaction of the residual material with the products can be modeled using a single-mixture fraction
chemistry library (that is, the same flamelet libraries can be used as without residual material).
2. Transformation of newly generated products into residual for simulation of subsequent engine cycles.
For many practical applications it is appropriate to assume that the residuals are recirculated exhaust
gas. Exhaust gas recirculation (EGR) may be either externally by guiding the exhaust gas through a duct
or pipe into the fresh mixture, or internally by recirculation or incomplete load exchange.
It is still necessary to distinct between products and residuals, because a fresh mixture containing residual
material behaves differently than a partially-reacted mixture in the flamefront. The residual material will
be less reactive, due to lower temperature and lower radical concentrations, such that no flame develops
when merely mixing residuals with fuel and oxidizer.
where
The fuel tracer and mixture fraction are very closely related quantities. The difference is that the fuel
tracer refers to the mass of fresh fuel, while the mixture fraction does additionally include a contribution
from the residual materials. The fuel tracer is equal to mixture fraction if, and only if, the residual mass
fraction is zero.
which establishes the following relation between the overall mixture fraction and the tracer variables:
(7.85)
(7.86)
Using Equation 7.84 (p. 291) and Equation 7.85 (p. 291) it is sufficient to solve for two of the four variables
, , and . In addition to the mixture fraction equation discussed in section The Flamelet
Model (p. 273), a transport equation is solved for the Favre-averaged fuel tracer:
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Combustion Theory
(7.87)
The equation is identical to that for the mean mixture fraction, except for boundary and initial conditions.
When the residual material model is applied in combination with the weighted reaction progress
model (for details, see Weighted Reaction Progress (p. 280)), the reaction progress is calculated based
on the fuel tracer instead of mixture fraction. The relation between weighted reaction progress and
reaction progress (Equation 7.44 (p. 280) and Equation 7.46 (p. 280)) then becomes the following:
(7.88)
where
where is the mixture fraction conditional to the combustible fraction of the mixture, that is, the
mixture without the residual material, see Equation 7.94 (p. 293).
The mass fraction in the total mixture is calculated by blending the fresh and burned fractions in the
same way as without the residual material model:
(7.90)
The species mass fractions for the flamelet solution, , and for inert mixing, , are provided
by the flamelet library.
(7.91)
and
(7.92)
In case of the weighted reaction progress model, the second assignment is equivalent to:
(7.93)
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Residual Material Model
In the expression for the new fuel tracer after reinitialization, , the first term accounts for the excess
fuel in the burnt fraction of the mixture, and the second term accounts for the fuel in the fresh fraction.
Note that in the limit of zero scalar dissipation rate, , the reinitialization leaves the component mass
fractions effectively unchanged.
(7.94)
(7.95)
Without loss of generality the residual material is assumed to be stoichiometric. Mixture fraction and
equivalence ratio conditional to the residual fraction are by definition
and
according to:
(7.96)
(7.97)
and
are the conditional mixture fractions for the fresh and the residual mixture. Note that
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Combustion Theory
. Conditional equivalence ratios can be transformed into conditional mixture fractions and vice versa
according to:
(7.98)
(7.99)
(7.100)
(7.101)
The current model assumes that the burnt region around the spark initially grows as a ball. During this
phase the radius of the spark kernel, , is computed solving a zero-dimensional initial value problem
(IVP). The radius at ignition, , is defined by the initial spark volume, :
(7.102)
where
The spark kernel radius is mapped onto the three-dimensional flow field by averaging the reaction
progress over the so-called phantom region. The phantom region is a ball of radius equal to the transition
radius, , and center equal to the spark center, . While solving for the kernel radius, the reaction
progress variable is algebraically set:
for
for
The initial value problem is solved until the kernel radius reaches the transition radius, , specified
by the user. At this point, the IVP solver is stopped and transition to the principal combustion model
is made (i.e., switch to the burning velocity model).
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Autoignition Model
The growth rate for the kernel radius is the turbulent burning velocity with a modification accounting
for high curvature while the kernel is small:
(7.103)
where
The IVP solver uses quantities averaged over the phantom region for laminar and turbulent burning
velocities, and , turbulence quantities, and , and densities of the burnt and the fresh mixture,
and .
The time expiring until the transition to the high temperature regime occurs, the ignition delay time,
is determined by detailed chemistry with dozens of species and hundreds of reactions involved. For
CFD it is impractical to calculate this process in all details. Instead, the progress of fuel reforming and
radical buildup is correlated with the elapsed fraction of the delay time, . A transport equation is
solved in order to account for variations of the ignition delay time:
(7.104)
The production term is disabled when no fuel is available, such that there is no further growth
behind the flame front. The elapsed fraction of ignition delay time, , may also be interpreted as a
normalized radical concentration.
Autoignition is modeled to occur when the scalar exceeds a threshold, . That is, reaction occurs if,
and only if, the delay time has expired. This leads to a distinction in two kinds of autoignition models:
Ignition Delay and Knock.
The physical information about ignition delay is provided by the ignition delay time, , which is the
primary input parameter to the model.
The ignition delay model suppresses the reaction locally until the delay time has expired. Prior to that
the reaction rate is set to zero (Eddy Dissipation) or the reaction progress is set to fresh material
(Flamelet).
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When autoignition (knock) occurs, a source term is added for reaction progress (BVM) or for flame surface
density (ECFM), respectively. The magnitude of the source is defined by the Knock Reaction Rate, which
by default is a first order Arrhenius reaction. For the BVM the following source is added locally to the
reaction progress equation:
(7.105)
where denotes a step function that is zero for and one for , is the Pre Expo-
nential Factor with a default value of and is the Activation Energy with a default
value of 15078 J/mol.
In order to improve the numerical robustness of the model, the knock reaction rate is limited to consume
only a certain fraction of the available fuel per timestep. The specified fraction is obeyed accurately
when using the first order time discretization scheme, and it is approximate for the second order scheme.
The default limit is , that is no more than 60% of the fuel locally available may burnt by knock
per timestep.
For the ECFM, the flame surface density is locally pulled towards a value equivalent to the knock reaction
rate by adding a corresponding Dirichlet source term:
(7.106)
where
(7.107)
where the octane number, , is a user input parameter for the model. The correlation has been calib-
rated for the octane number range .
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NO Formation Model
(7.108)
where
The user input parameters are the mean piston speed, , the engine velocity in rounds per minute,
, and the cetane number of the fuel, . The apparent activation energy, , has been calibrated
for cetane number in the range .
Thermal NO
Prompt NO
Fuel Nitrogen
N2O
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Reactions for the first three formation paths (thermal, prompt and fuel) and for NO reburn are predefined
in the REACTIONS database. It is possible to add reactions for other mechanisms, or modify the provided
mechanisms, using the Reaction details view in CFX-Pre (or manually in the CCL commands file).
7.18.1.1. Thermal NO
The thermal NO mechanism is a predominant source of NOx in gas flames at temperatures above 1800
K. The NO is formed from the combination of free radical O and N species, which are in abundance at
high temperatures. The two-step mechanism, referred to as the Zeldovich mechanism, is thought to
dominate the process:
(7.109)
(7.110)
When this step is included with the first two, it is referred to as the extended Zeldovich mechanism.
The rates of each of these three reactions (using the subscripts 1,2,3 to describe the three reactions)
are expressed as [43]:
(7.112)
(7.113)
(7.114)
When multiplied by the concentrations of the reactants, they yield rates in terms of ,
which can be converted to a volumetric mass source term.
The first step tends to be rate limiting, producing both an NO and N radical species. The N radical is
assumed to be oxidized by reaction Equation 7.110 (p. 298) in the Zeldovich mechanism and also by
reaction Equation 7.111 (p. 298) in the extended Zeldovich mechanism. Either way, these second oxidation
reactions are assumed to be fast and if Reaction Equation 7.109 (p. 298) occurs, then two NO molecules
will be formed. The thermal NO formation in , , is therefore related to the rate of
reaction Equation 7.109 (p. 298):
(7.115)
(7.116)
Here, denotes the molecular mass of NO. Thus, if the molar concentrations [O] and [N2] of O rad-
icals and N2 are known, the thermal NO mechanism can be calculated.
When using the Laminar Flamelet model, almost always the O radical concentration can be taken without
further assumptions from the solution because the model predicts it directly. However, when using the
Eddy Dissipation model (EDM) and/or the Finite Rate Chemistry model (FRC), O radical concentrations
usually are not known directly but must be derived from other quantities. Here, the O radical concen-
tration is estimated from the molecular oxygen dissociation,
(7.117)
(Westenberg, 1975):
(7.118)
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NO Formation Model
(7.120)
7.18.1.2. Prompt NO
At temperatures lower than 1800 K, hydrocarbon flames tend to have an NO concentration that is too
high to be explained with the Zeldovich mechanisms. Hydrocarbon radicals can react with molecular
nitrogen to form HCN, which may be oxidized to NO under lean flame conditions.
(7.121)
(7.122)
The complete mechanism is very complicated. However, De Soete (see also Peters and Weber, 1991)
proposed a single reaction rate to describe the NO source by the Fenimore mechanism,
(7.123)
(7.124)
and denote molar mass of NO and the mean molar mass of the mixture, respectively. The
Arrhenius coefficients depend on the fuel. (De Soete, 1974) proposed the following values:
Methane fuel
(7.125)
Acetylene fuel
(7.126)
1. HCN-NO formation:
2. HCN-NO destruction:
3. HCO oxidation:
where
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(7.128)
(7.129)
where denotes the molar fraction of and denotes the mean molar mass of the mixture.
7.18.1.4. NO Reburn
Under fuel rich conditions, when the amount of oxygen available is not sufficient to oxidize all of the
fuel, the excess fuel may lead to reduction of NO. This process can be described by a global reaction:
(7.130)
Note that this is only a global representation; the physical process actually occurring is much more
complicated. The real process involves many intermediate components appearing during combustion
of the fuel, such as CHx radicals, which attack the NO.
The stoichiometric coefficients for fuel, carbon dioxide and water vapor are fuel-dependent. For a given
fuel they can easily be derived from the element balance. For methane, the global NO reburn reaction
is:
(7.131)
The reaction rate will be fuel dependent. For coal volatiles, the reaction rate defaults to:
(7.132)
The same reaction rate is applied for the predefined NO reburn reaction for methane.
In order to determine the mean rate for NO formation, a presumed probability density function (presumed
PDF) method is used to compute the weighted average of the reaction rate:
(7.133)
This integration is carried out separately for each reaction step. For simplicity, the subscripts (thermal
or prompt) have been omitted. The integration range for temperature, , is the range of temper-
atures occurring. The default for NO reactions is the range [300 K; 2300 K], but this may be modified
by you on a per reaction scope.
The probability density function (PDF) is computed from mean temperature, , and the variance of
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NO Formation Model
(7.134)
Where:
(7.135)
and:
(7.136)
For vanishing temperature variance (vanishing temperature fluctuations), the beta function is approaching
to a single Dirac peak (delta-function). In the limit, the integrated reaction rate is the same as for that
for the standard Arrhenius rate. For very large fluctuation, the beta function goes towards a double
Dirac peak, and for small to medium temperature variance the shape of the PDF is similar to that of a
Gaussian distribution.
Arrhenius reaction rates integrated over a PDF for temperature is not limited to NO formation but may
be used for any reaction.
For the temperature variance, , that is needed from constructing the probability density function
(PDF) used for the temperature integration, the following transport equation is solved:
(7.137)
The above equation is missing some physical aspects namely the production of temperature fluctuations
due to heat release by chemical reaction. Heat release is fluctuating, too, because of turbulent fluctuations
of the reactants. However, in the current model temperature variance is only needed as input to another
model: The construction of a probability density function with presumed shape. For this purpose, the
above equation provides sufficient accuracy.
For convenience of setting up a case, the temperature variance equation can be run without specifying
BC or IC data. In the first release, these are not offered by the user interface (CFX-Pre). If absent, zero
fluctuations are assumed at inlets, openings and walls with specified temperature. At walls with specified
heat flux or transfer coefficient, the default BC for temperature variance is zero flux.
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Combustion Theory
The model parameter that is most likely to need adjusting is the temperature integration range for the
presumed PDF. It is specified by the Lower Temperature and Upper Temperature parameters.
These appear in the FORWARD REACTION RATE object when Option is set to Arrhenius with
Temperature PDF. The predefined reaction schemes come with the range set to the interval [300
K, 2300 K]. It is recommended that you adjust this to the maximum temperature range occurring. For
many systems, this temperature range is defined by the minimum inlet temperature and the adiabatic
flame temperature.
It is also possible to select each NO formation path individually (thermal, prompt, fuel nitrogen, reburn,
or possibly user defined). Simply add only those reactions to the mixture material that you want to ac-
count for.
Postprocessing components:
Postprocessing reactions:
Generate no source for regular components (that is, not postprocessed ones)
No heat release
The above model assumptions are justified if the component mass fractions and reaction turnover are
small relative to the bulk mixture. A typical application is the simulation of pollutants; for example, NO
formation. The transport equations for postprocessing components are solved at the end of the flow
analysis after the solving of the main equations. When the postprocessing reactions require a temper-
ature variance equation (reaction rate option is Arrhenius with Temperature PDF) and the
variance equation was not solved during the analysis, then temperature variance will be postprocessed
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Soot Model
as well. In this case, the temperature variance equation will be solved first to convergence or maximum
number of iterations and is then followed by the postprocessing components group.
Note
For steady-state cases, chemistry postprocessing is not performed at the end of the flow
analysis if the termination of the flow analysis was due to a user-defined solver interrupt
condition. For details, see Interrupt Control in the CFX-Pre User's Guide.
(7.138)
(7.139)
1. Formation of nuclei and soot particles following the models of Tesner et al., [45]
3. Magnussens Eddy Dissipation Concept (EDC) for modeling the effect of turbulence on mean reaction
rates.
The soot model can be used in either single phase or multiphase flow (MPF) configurations. In multiphase
calculations, however, the soot variables cannot be a separate phase but must be assigned to one of
the fluids.
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Combustion Theory
is the mass of a soot particle and are the density and the mean diameter of the soot particles,
respectively. With the above definitions, the source terms for nuclei and soot formation
can be modeled as (Tesner et al. [45]):
(7.143)
(7.144)
In the nuclei equation, the spontaneous formation of radical nuclei from the fuel, , is modeled using
the Arrhenius approach,
(7.145)
where is the mass fraction of carbon in the fuel material. is a linear branching coefficient, is a
linear termination coefficient, and is a coefficient of linear termination or radical nuclei on soot
particles. In the soot equation, and are constants. The default values for all of the soot model
parameters are summarized in the following table:
Most references list the coefficients using the absolute particle number [part] in the physical dimensions.
However, for numerical, reasons CFX is using [mol] instead. To convert from the [part] system into the
[mol] system, coefficients and have to be multiplied by Avogadros number
[part/mol], and the coefficient must be divided by . All other coefficients remain
unchanged.
The mean rates of combustion of nuclei, , and soot particles, are calculated from the fuel
consumption reaction rate, in [kg/m3/s], as:
(7.146)
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Soot Model
(7.147)
This is equivalent to posing the same assumptions to nuclei and soot particles combustion that were
made for fuel consumption. For example, when the Eddy Dissipation model is applied for the fuel
consumption reaction, combustion of nuclei and soot particles is assumed to operate at the fast
chemistry limit. No special model for turbulence effects is required for the nuclei and soot combustion
rates as this is already accounted for in the computation of the fuel reaction rate.
The Eddy Dissipation Concept (EDC) is a reactor concept that identifies a reactor, where the combustion
of fuel takes place, related to the fine structures in turbulence. This reactor is treated as a homogeneous
reactor exchanging mass and energy with the surrounding fluid. The fraction of mass that is contained
in the fine structures is determined from the turbulence quantities.
Local balance equations are solved to compute the temperature and the concentrations of nuclei and
soot particles in the fine structures and in the surrounding fluid, respectively. The mean source terms
are then computed assuming a bimodal distribution of the fluid between the fine structures and the
surrounding. For a detailed explanation of the Eddy Dissipation Concept, see (Magnussen, 1989).
The EDC procedure need not be applied to the soot combustion terms, because turbulence is already
accounted for in the computation of the fuel reaction rate. For details, see Soot Combustion (p. 304).
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Chapter 8: Radiation Theory
This chapter contains a simple summary of the theory of thermal radiation and the algorithms used in
CFX:
Details on modeling radiation in CFX are available in Radiation Modeling in the CFX-Solver Modeling
Guide.
(8.1)
where:
= frequency
= position vector
= direction vector
= path length
= absorption coefficient
= scattering coefficient
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Radiation Theory
= Spectral radiation intensity which depends on position (r) and direction (s)
= solid angle
The RTE is a first order integro-differential equation for I v in a fixed direction, s. To solve this equation
within a domain, a boundary condition for I v is required. The following are the boundary conditions
currently supported in CFX:
(8.2)
(8.3)
where:
=spectral reflectivity= =
=specular direction
Due to the dependence on 3 spatial coordinates, 2 local direction coordinates, s, and frequency, the
formal solution of the radiative transfer equation is very time consuming and usually accomplished by
the use of approximate models for the directional and spectral dependencies. For directional approxim-
ations, CFX includes Rosseland, P-1, Discrete Transfer, and Monte Carlo. For spectral ap-
proximations, CFX includes: Gray, Multiband and Weighted Sum of Gray Gases.
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Radiation Transport
where:
= refractive index
= Plancks constant
= Boltzmanns constant
The total blackbody emission is simply the integral of over all frequencies:
(8.7)
Note that the blackbody emission is proportional to the fourth power of the temperature and because
of this strong dependence, radiation is usually unimportant or totally dominant for heat transfer.
The sun, for example, is approximately a blackbody at a temperature of 5700 K. The spectrum peaks in
the yellow part of the visible spectrum.
Combustion temperatures are typically 1000 - 2000 K, with spectrum peaks in the near infra-red range.
Note that the peak of the spectrum as a function of wavelength is at:
(8.8)
For a medium containing gray absorbing and emitting particles, the contribution of the particles to the
transport equation for the incident radiation can be written as
(8.9)
where is the effective emission of the particles and is the effective absorption coefficient. These
are defined as follows:
(8.10)
and
(8.11)
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Radiation Theory
In Equation 8.10 (p. 309) and Equation 8.11 (p. 309), , , and are the emissivity, projected area,
and temperature of particle . The summation is over particles in volume . These quantities are
computed during particle tracking in ANSYS CFX.
(8.12)
Integrating the equation of transfer over solid angles, the divergence of the spectral radiative heat flux
is given by:
(8.14)
(8.15)
The total radiative flux is obtained by integrating Equation 8.14 (p. 310) over the spectrum:
(8.16)
In the case of pure scattering, . Therefore , as it should because in this case no energy is
lost from the radiation field; clearly this is also true in thermodynamic equilibrium.
(8.17)
where is the optical thickness (or opacity) of the layer of thickness and is a function of all the values
of between 0 and . A large value of means large absorption of radiation. Note that this definition
of optical thickness is different from that traditionally found in the optics literature where the optical
thickness is a property of the material.
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Rosseland Model
(8.18)
The fraction of the electromagnetic wave that is reflected normally depends on the polarization of the
photon. CFX does not keep track of photon polarizations. Assuming that the photons are randomly
polarized, then it is sufficient to take the average result. The two extreme polarizations are termed
transverse electric (TE) and transverse magnetic (TM), and describe the orientations of the electric and
magnetic vectors relative to the interface.
For the TE mode, the ratio of reflected to incident wave amplitude (E E) is given by:
(8.19)
and for the TM mode the ratio of reflected to incident wave amplitude ( ) is given by:
(8.20)
where and are the incident and refracted angles, and and are the refractive indices of the two
media.
The probability of being reflected is determined by the energy flow at the interface which is proportional
to the square of the wave amplitude. Thus, the average reflection coefficient is given as:
(8.21)
No absorption takes place at the interface, so the probability of transmission plus reflection is always
one. If the photon is transmitted, then the angle of refraction is determined by Snells law:
(8.23)
CFX performs these calculations at every radiation element boundary, although, in most cases, there is
no change of refractive index.
A good source for the simplification of the Radiation Transport Equation for the optically thick limit can
be seen in Siegel and Howe [23]. The total radiative heat flux in an optically thick, and linearly anisotropic
scattering medium can be written as:
(8.24)
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Radiation Theory
When the Rosseland Approximation is introduced into the energy transport equation, the conduction
and radiative heat flux can be combined as:
(8.25)
(8.26)
(8.27)
where is the thermal conductivity and is the total radiative conductivity. Equation 8.25 (p. 312) is
called upon to calculate the temperature field in the energy equation.
(8.28)
where is the slip co-efficient, is the wall temperature and is the gas temperature at the wall.
is computed as the solution of:
(8.29)
(8.30)
The spectral radiative heat flux in the diffusion limit for an emitting, absorbing, and linearly scattering
medium, can be computed as:
(8.31)
The equation for the spectral incident radiation that results from substituting the above terms into the
radiation transport equation:
(8.32)
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Monte Carlo Model
(8.33)
where is the unit vector outward normal to the wall, is a distance coordinate in the same direction,
and represents the value at the wall.
(8.34)
the approach is then to solve for the intensity, , along rays leaving from the boundaries using the
equation of transfer:
(8.36)
where:
Then, integrate over solid angle at discrete points to get the spectral incident radiation, and the
radiative heat flux, and use the homogeneity assumption to extend the solution to the entire domain.
Non-linearities in the system due to scattering, diffuse reflection, or temperature dependency of radiation
quantities is overcome by iteration.
Because the objective of thermal radiation modeling is to obtain the total volumetric absorption and
emission, additional calculations are still needed. For the Gray spectral model, the calculation is done
once for a unique radiation intensity field. For the Multiband and Weighted Sum of Gray Gases, the
solution must be computed for each spectral band/ gray gas and a final integration to obtain the total
radiation quantities is required. Under the assumption of coherent radiation field, ie., the solution at a
given frequency is independent of that at all other frequencies.
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Radiation Theory
Similarly is proportional to the rate of incidence of photons on the surface at , because volumetric
absorption is proportional to the rate of absorption of photons.
By following a typical selection of photons and tallying, in each volume element, the distance traveled,
you can obtain the mean total intensity.
By following a typical selection of photons and tallying, in each volume element, the distance times
the absorption coefficient, you can obtain the mean total absorbed intensity.
By following a typical selection of photons and tallying, in each volume element, the distance times
the scattering coefficient, you can obtain the mean total scattered intensity.
By also tallying the number of photons incident on a surface and this number times the emissivity, you
obtain the mean total radiative flux and the mean absorbed flux.
Note that no discretization of the spectrum is required because differential quantities are not usually
important for heat transfer calculations. Providing that the spectral (Multiband or Weighted Sum of
Gray Gases) selection is done properly, the Monte Carlo tallying automatically integrates over the
spectrum.
8.6.1. Gray
The Gray model assumes that all radiation quantities are nearly uniform throughout the spectrum,
consequently the radiation intensity is the same for all frequencies. Then, the dependency of Equa-
tion 8.1 (p. 307) on frequency can be dropped.
This implies that only one radiative transfer equation must be solved and that all total radiation
quantities and their spectral counterpart are the same.
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Spectral Models
CFX assumes that the main spectral variable is frequency because it is independent of the material re-
fractive index and it will facilitate the setup of multidomain problems. Other spectral variables, such
wavelength and wavenumber would be available for vacuum only.
Then, the radiative transfer equation is integrated within is spectral band and a modified RTE is obtained:
(8.37)
for , where the emission within the spectral band is weighted by:
(8.38)
After solving one RTE per spectral band, total radiation intensity can be computed as:
(8.39)
This immediately suggests that for an -band model, times as much work is required as for a gray,
-band model. In the case of the Discrete Transfer model, for small this turns out not to be true because
the tracking of the rays through the geometry is a major one-off overhead.
This model can be used in conjunction with all available radiation models.
(8.40)
Because emissivity must be proportional to absorptivity by Kirchoffs law, it follows that must approach
unity as . This imposes a constraint on the gray gas weights or amplitudes:
(8.41)
Also the requirement that is a monotonically increasing function of is satisfied if all the are
positive.
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Radiation Theory
If the number of gray gases, , is large, then may be thought of as the fraction of the energy
spectrum, relative to the blackbody energy, for which the absorption coefficient is approximately .
Then, the methodology described for the Multiband model can be used directly.
Taylor and Foster (1974) [51] have integrated the spectral data and constructed a multigray gas repres-
entation:
(8.42)
As well as CO2 and H2O, the model developed by Beer, Foster and Siddall [52] takes into account the
contributions of CO and unburned hydrocarbons (for example, CH4), which are also significant emitters
of radiation. These authors generalize the parameterization of the absorption coefficients as follows:
(8.44)
where is the partial pressure of CO and is the total partial pressure of all hydrocarbon species.
The values of , [K-1], [m-1 atm-1] and [m-1 atm-1] are given in Table 8.1: Gray gas emissivity
parameters for a carbon dioxide / water vapor / hydrocarbon mixture. (p. 316), together with a similar
correlation for = 3, derived by Beer, Foster and Siddall [52], and suitable defaults for = 2 or 1
(single gray gas) representations.
Table 8.1: Gray gas emissivity parameters for a carbon dioxide / water vapor / hydrocarbon
mixture.
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Spectral Models
Note
To satisfy the requirement that the factors sum to unity, the factors must sum to 1.0
and the factors must sum to 0.
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Chapter 9: Electromagnetic Hydrodynamic Theory
Computational Fluid Dynamics is based on the conservation of mass, momentum, energy, and chemical
species. Computational Electromagnetics (CEM) is based on:
The interaction of CEM and CFD is through body forces that result due to interactions between electro-
magnetic fields and fluid motion.
The electric potential for conducting materials (including magnetic induced currents)
(9.2)
(9.3)
(9.4)
The Continuity equation (conservation of electric charge), which is a combination of the equations
above, is:
(9.5)
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Electromagnetic Hydrodynamic Theory
To close this system of equations, constitutive relationships and a suitable set of boundary conditions
must be included.
where is the permittivity of vacuum. For linear materials (typically diamagnetic or paramagnetic), the
polarization vector can be written as
(9.7)
where is the electric susceptibility, which can be a function of the electric field .
A similar relationship is used to relate the magnetic induction to the magnetic field , and the
magnetization vector .
(9.8)
where is the permeability of vacuum. For linear materials, the magnetization vector can written
as
(9.9)
For a particle:
(9.11)
where:
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Electromagnetic Models
(9.13)
(9.17)
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Electromagnetic Hydrodynamic Theory
(9.22)
Equation 9.1 (p. 319) and Equation 9.3 (p. 319) are automatically satisfied:
(9.25)
(9.26)
(9.27)
Using the constitutive relation between the Magnetic Induction ( ) and the Magnetic Field ( ), in ad-
dition to the quasi-steady approximation:
(9.31)
Using vector identities (Equation 9.22 (p. 322)) assuming uniform magnetic permeability, and enforcing
the Coulomb gauge that , the transport equation for the magnetic vector potential becomes:
(9.32)
Note that the left-hand side of the transport equation for the magnetic vector potential has only
transport by diffusion, which is balanced by the sources on the right-hand side.
Conservation of Mass
(9.33)
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Fluid Dynamics Model
where denotes the sources of momentum arising from the electromagnetic forces and is given
by:
(9.35)
Conservation of Energy
(9.36)
Where:
The term represents the work due to viscous stresses and is called the viscous work term.
The term represents the work due to external momentum sources and is currently neglected.
The term represents the energy source due to resistive heating and is given by .
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Chapter 10: Rigid Body Theory
This chapter contains a summary of the theory of rigid body and the algorithms used in ANSYS CFX:
10.1. Equations of Motion of Rigid Body
10.2. Rigid Body Solution Algorithms
(10.2)
These equations state that for a rigid body undergoing translation and rotation the rate of change of
linear and angular momentum, and , respectively, of the rigid body is equal to the applied force
and torque, and , respectively, acting on the body.
where is the mass and represents the sum of all forces which include aerodynamic, weight of rigid
body, spring and/or explicit external force.
Expanding the sum of all forces, Equation 10.3 (p. 325) may be written as:
(10.4)
where is the aerodynamic force, is the gravity, is the linear spring constant and is
all other external forces acting on the body.
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Rigid Body Theory
(10.5)
(10.6)
where is time, is representative of an entity such as spatial or angular position, and the subscripts
and represent the known solution at time and unknown solution at time , respectively.
The Newmark integration depends on two real parameters and . These parameters are directly linked
to accuracy and stability of the Newmark time integration scheme.
In typical applications of the Newmark method and are chosen to be and , respectively. This
choice of parameters corresponds to a trapezoidal rule that results in a second order accurate scheme
that is also unconditionally stable in linear analyses. The linear momentum equations are solved using
these parameters.
For fixed values of the external forces, the linear momentum solver advances the solution over time
using the following procedure:
and substituting for into Equation 10.5 (p. 326) where is replaced by and rearranging,
is determined from:
(10.8)
2. From Equation 10.5 (p. 326) where is replaced by and rearranging, is determined from:
(10.9)
3. From Equation 10.6 (p. 326) where is replaced by and rearranging, is determined from:
(10.10)
where is time.
Note that iteration of the above procedure is required to account for dependencies of the forces on
the position of the rigid body.
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Rigid Body Solution Algorithms
(10.12)
In the mass moment of inertia matrix shown in Equation 10.12 (p. 327), the center of mass is given by
, and is a differential element of mass.
Equation 10.11 (p. 326) represents the spatial coordinate form for the classical Eulers equation for the
rigid body in body-fixed coordinates.
Also, in Equation 10.11 (p. 326) is the total moment from all the separate contributions including
spring and other external moments:
(10.13)
where is the aerodynamic torque, is the rotational spring constant and is all other
external torques acting on the body.
Equation 10.15 (p. 327) can be expressed in terms of , angles in the global frame (see 206), as:
(10.16)
where
(10.17)
and where and are Euler Angle Y and Euler Angle X, respectively. For details on Euler Angles see
Rigid Body Motion in the CFX-Solver Modeling Guide.
Integrating in global coordinates using the first order backward Euler algorithm:
(10.18)
Note that in addition to providing only a first order integration of the rotational momentum the first
order backward Euler method does not exactly conserve total angular momentum and is subject to
potential of encountering Gimbal lock [205].
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Rigid Body Theory
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Chapter 11: Discretization and Solution Theory
This chapter describes:
11.1. Numerical Discretization
11.2. Solution Strategy - The Coupled Solver
11.3. Discretization Errors
The figure below shows a typical two-dimensional mesh. All solution variables and fluid properties are
stored at the nodes (mesh vertices). A control volume (the shaded area) is constructed around each
mesh node using the median dual (defined by lines joining the centers of the edges and element centers
surrounding the node).
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Discretization and Solution Theory
To illustrate the finite volume methodology, consider the conservation equations for mass, momentum,
and a passive scalar, expressed in Cartesian coordinates:
(11.1)
(11.2)
(11.3)
These equations are integrated over each control volume, and Gauss Divergence Theorem is applied
to convert volume integrals involving divergence and gradient operators to surface integrals. If control
volumes do not deform in time, then the time derivatives can be moved outside of the volume integrals
and the integrated equations become:
(11.4)
(11.5)
(11.6)
where V and s respectively denote volume and surface regions of integration, and dn j are the differential
Cartesian components of the outward normal surface vector. The volume integrals represent source or
accumulation terms, and the surface integrals represent the summation of the fluxes. Note that changes
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Numerical Discretization
to these equations need some generalization to account for mesh deformation. For details, see Mesh
Deformation (p. 341).
The next step in the numerical algorithm is to discretize the volume and surface integrals. To illustrate
this step, consider a single element like the one shown below.
Volume integrals are discretized within each element sector and accumulated to the control volume to
which the sector belongs. Surface integrals are discretized at the integration points (ipn) located at the
center of each surface segment within an element and then distributed to the adjacent control volumes.
Because the surface integrals are equal and opposite for control volumes adjacent to the integration
points, the surface integrals are guaranteed to be locally conservative.
After discretizing the volume and surface integrals, the integral equations become:
(11.7)
(11.8)
(11.9)
where , V is the control volume, is the time step, is the discrete outward surface
vector, the subscript ip denotes evaluation at an integration point, summations are over all the integration
points of the control volume, and the superscript o refers to the old time level. Note that the First Order
Backward Euler scheme has been assumed in these equations, although a second order scheme (discussed
later) is usually preferable for transient accuracy.
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Discretization and Solution Theory
(11.10)
where N i is the shape function for node i and is the value of at node i. The summation is over all
nodes of an element. Key properties of shape functions include:
(11.11)
(11.12)
The shape functions used in ANSYS CFX are linear in terms of parametric coordinates. They are used to
calculate various geometric quantities as well, including ip coordinates and surface area vectors. This
is possible because Equation 11.10 (p. 332) also holds for the coordinates:
(11.13)
The tri-linear shape functions for each supported mesh element are given below:
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Numerical Discretization
(11.14)
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Discretization and Solution Theory
(11.15)
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Numerical Discretization
(11.16)
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(11.17)
(11.18)
This formula requires that be evaluated at integration points using finite-element shape functions.
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Numerical Discretization
where is the value at the upwind node, and is the vector from the upwind node to the ip. Partic-
ular choices for and yield different schemes as described below.
A value of yields a first order Upwind Difference Scheme (UDS). This scheme is very robust, but it
will introduce diffusive discretization errors that tend to smear steep spatial gradients as shown below:
By choosing a value for between 0 and 1, and by setting equal to the average of the adjacent
nodal gradients, the discretization errors associated with the UDS are reduced. The quantity ,
called the Numerical Advection Correction, may be viewed as an anti-diffusive correction applied to
the upwind scheme. The choice is formally second-order-accurate in space, and the resulting dis-
cretization will more accurately reproduce steep spatial gradients than first order UDS. However, it is
unbounded, and may introduce dispersive discretization errors that tend to cause non-physical oscillations
in regions of rapid solution variation as shown below.
With the central difference scheme (CDS), is set to 1 and is set to the local element gradient. An
alternative interpretation is that is evaluated using the tri-linear shape functions:
(11.20)
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The resulting scheme is also second-order-accurate, and shares the unbounded and dispersive properties
of the Specified Blend Factor scheme. An additional undesirable attribute is that CDS may suffer from
serious decoupling issues. While use of this scheme is not generally recommended, it has proven both
useful for LES-based turbulence models.
The bounded central difference scheme is essentially based on the normalized variable diagram (NVD)
approach [213] together with the convection boundedness criterion (CBC) [214]. It uses the central dif-
ference scheme wherever possible, but blends to the first-order upwind scheme when the CBC is violated.
The bounded central difference scheme is suitable both for the LES and the SAS or DES turbulence
models. For SAS and DES, the bounded central difference scheme then replaces the numerical blending
between the central differencing scheme and the specified differencing scheme. See Discretization of
the Advection Terms (p. 122) for more details regarding the numerical blending.
The High Resolution Scheme uses a special nonlinear recipe for at each node, computed to be as
close to 1 as possible without introducing new extrema. The advective flux is then evaluated using the
values of and from the upwind node. The recipe for is based on the boundedness principles
used by Barth and Jesperson [28]. This methodology involves first computing a and at each
node using a stencil involving adjacent nodes (including the node itself ). Next, for each integration
point around the node, the following equation is solved for to ensure that it does not undershoot
or overshoot :
(11.21)
The nodal value for is taken to be the minimum value of all integration point values surrounding the
node. The value of is also not permitted to exceed 1. This algorithm can be shown to be Total Variation
Diminishing (TVD) when applied to one-dimensional situations.
(11.22)
The summation is over all the shape functions for the element. The Cartesian derivatives of the shape
functions can be expressed in terms of their local derivatives via the Jacobian transformation matrix:
(11.23)
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Numerical Discretization
The shape function gradients can be evaluated at the actual location of each integration point (that is,
true tri-linear interpolation), or at the location where each ip surface intersects the element edge (that
is, linear-linear interpolation). The latter formulation improves solution robustness at the expense of
locally reducing the spatial order-accuracy of the discrete approximation.
(11.25)
As with the diffusion terms, the shape function used to interpolate can be evaluated at the actual
location of each integration point (that is, true tri-linear interpolation), or at the location where each ip
surface intersects the element edge (that is, linear-linear interpolation). By default, linear-linear interpol-
ation is used unless the flow involves buoyancy, in which case tri-linear interpolation is used for improved
accuracy.
A similar strategy is adopted in ANSYS CFX. By applying a momentum-like equation to each integration
point, the following expression for the advecting (mass-carrying) velocity at each integration point is
obtained:
(11.27)
(11.28)
(11.29)
= approximation to the central coefficient of momentum equation, excluding the transient term
(11.30)
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o
The overbars indicate averaging of adjacent vertex values to the integration point, while the superscript
denotes values at the previous time step.
The nave discretization, given simply by averaging the adjacent vertex velocities to the integration
point, is augmented by a high-order pressure variation that scales with the mesh spacing. In particular,
when substituted into the continuity equation, the expression
(11.31)
becomes a fourth derivative of pressure that scales with . This expression represents a spatially
third-order accurate term, and is sometimes also called the pressure-redistribution term. This term is
usually significantly smaller than the average of vertex velocities, especially as the mesh is refined to
reasonable levels.
In some cases, the pressure-redistribution term can produce apparently significant spurious velocity
fields. This may occur when a strong pressure gradient is required to balance a body force, , such as
buoyancy or porous drag. In these cases, the Rhie Chow discretization may lead to velocity wiggles at
locations where the body force is discontinuous (for example., at a free surface interface, or at the
boundary of a porous region). The wiggles are greatly reduced or eliminated by redistributing the body
force as follows:
(11.32)
11.1.1.7.2. Compressibility
Mass flow terms in the mass conservation equation involve a product of the density and the advecting
velocity. For compressible flows, the discretization of this product is made as implicit as possible with
the use of the following Newton-Raphson linearization:
(11.33)
Here, the superscripts and respectively indicate the current and previous iterates. This results in an
active linearization involving both the new density and velocity terms for compressible flows at any
Mach number. The value of is linearized in terms of pressure as
(11.34)
(11.35)
n+ n-
where values at the start and end of the time step are assigned the superscripts and , respectively.
With the First Order Backward Euler scheme, the start and end of time step values are respectively ap-
proximated using the old and current time level solution values. The resulting discretization is:
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Numerical Discretization
(11.36)
It is robust, fully implicit, bounded, conservative in time, and does not have a time step size limitation.
This discretization is, however, only first-order accurate in time and will introduce discretization errors
that tend to diffuse steep temporal gradients. This behavior is similar to the numerical diffusion exper-
ienced with the Upwind Difference Scheme for discretizing the advection term.
With the Second Order Backward Euler scheme, the start and end of time step values are respectively
approximated as:
(11.37)
(11.38)
When these values are substituted into the general discrete approximation, Equation 11.35 (p. 340), the
resulting discretization is:
(11.39)
This scheme is also robust, implicit, conservative in time, and does not have a time step size limitation.
It is second-order accurate in time, but is not bounded and may create some nonphysical solution os-
cillations. For quantities such as volume fractions, where boundedness is important, a modified Second
Order Backward Euler scheme is used instead.
The default startup option for 2nd order transient discretization uses 1st order discretization for the
first timestep. Since 1st order discretization interprets the solution at the end of the timestep, and 2nd
order disrecetization interprets the solution in the middle of the timestep, a conservation error occurs
in the first step. The expert parameter transient startup option (described in Discretization
Parameters in the CFX-Solver Modeling Guide) can be used to partially correct this 'half-timestep' conser-
vation error. The error can be further minimized by reducing the timestep.
(11.40)
As before, the differential conservation equations are integrated over a given control volume. At this
juncture, the Leibnitz Rule is applied, and the integral conservation equations become:
(11.41)
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(11.42)
(11.43)
The transient term accounts for the rate of change of storage in the deforming control volume, and
the advection term accounts for the net advective transport across the control volume's moving
boundaries.
Erroneous sources of conserved quantities will result if the Geometric Conservation Law (GCL):
(11.44)
is not satisfied by the discretized transient and advection terms. The GCL simply states that for each
control volume, the rate of change of volume must exactly balance the net volume swept due to the
motion of its boundaries. The GCL is satisfied by using the same volume recipes for both the control
volume and swept volume calculations, rather than by approximating the swept volumes using the
mesh velocities.
(11.45)
where is the solution, b the right hand side, a the coefficients of the equation, i is the identifying
number of the control volume or node in question, and nb means neighbor, but also includes the
central coefficient multiplying the solution at the ith location. The node may have any number of such
neighbors, so that the method is equally applicable to both structured and unstructured meshes. The
set of these, for all control volumes constitutes the whole linear equation system. For a scalar equation
(for example, enthalpy or turbulent kinetic energy), , and b i are each single numbers. For the
coupled, 3D mass-momentum equation set, they are a (4 x 4) matrix or a (4 x 1) vector, which can be
expressed as:
(11.46)
and
(11.47)
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Solution Strategy - The Coupled Solver
(11.48)
It is at the equation level that the coupling in question is retained and at no point are any of the rows
of the matrix treated any differently (for example, different solution algorithms for momentum versus
mass). The advantages of such a coupled treatment over a non-coupled or segregated approach are
several: robustness, efficiency, generality, and simplicity. These advantages all combine to make the
coupled solver an extremely powerful feature of any CFD code. The principal drawback is the high
storage needed for all the coefficients.
ANSYS CFX uses a coupled solver, which solves the hydrodynamic equations (for u, v, w, p) as a single
system. This solution approach uses a fully implicit discretization of the equations at any given time
step. For steady-state problems, the time-step behaves like an acceleration parameter, to guide the
approximate solutions in a physically based manner to a steady-state solution. This reduces the number
of iterations required for convergence to a steady-state, or to calculate the solution for each time step
in a time-dependent analysis.
The solution of each set of field equations shown in the flow chart consists of two numerically intensive
operations. For each time step:
1. Coefficient Generation: The nonlinear equations are linearized and assembled into the solution matrix.
2. Equation Solution: The linear equations are solved using an Algebraic Multigrid method.
When solving fields in the CFX-Solver, the outer (or time step) iteration is controlled by the physical
time scale or time step for steady and transient analyses, respectively. Only one inner (linearization) it-
eration is performed per outer iteration in steady-state analyses, whereas multiple inner iterations are
performed per time step in transient analyses.
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The linearized system of discrete equations described above can be written in the general matrix form:
(11.49)
where is the coefficient matrix, the solution vector and the right hand side.
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Solution Strategy - The Coupled Solver
The above equation can be solved iteratively by starting with an approximate solution, , that is to
be improved by a correction, , to yield a better solution, , that is,
(11.50)
Repeated application of this algorithm will yield a solution of the desired accuracy.
By themselves, iterative solvers such as ILU tend to rapidly decrease in performance as the number of
computational mesh elements increases. Performance also tends to rapidly decrease if there are large
element aspect ratios present.
From a numerical standpoint, the multigrid approach offers a significant advantage. For a given mesh
size, iterative solvers are efficient only at reducing errors that have a wavelength of the order of the
mesh spacing. So, while shorter wavelength errors disappear quite quickly, errors with longer wavelengths,
of the order of the domain size, can take an extremely long time to disappear. The Multigrid Method
bypasses this problem by using a series of coarse meshes such that longer wavelength errors appear
as shorter wavelength errors relative to the mesh spacing. To prevent the need to mesh the geometry
using a series of different mesh spacings, ANSYS CFX uses Algebraic Multigrid.
Algebraic Multigrid [25] forms a system of discrete equations for a coarse mesh by summing the fine
mesh equations. This results in virtual coarsening of the mesh spacing during the course of the iterations,
and then re-refining the mesh to obtain an accurate solution. This technique significantly improves the
convergence rates. Algebraic Multigrid is less expensive than other multigrid methods because the
discretization of the nonlinear equations is performed only once for the finest mesh.
ANSYS CFX uses a particular implementation of Algebraic Multigrid called Additive Correction. This ap-
proach is ideally suited to the CFX-Solver implementation because, it takes advantage of the fact that
the discrete equations are representative of the balance of conserved quantities over a control volume.
The coarse mesh equations can be created by merging the original control volumes to create larger
ones as shown below. The diagram shows the merged coarse control volume meshes to be regular,
but in general their shape becomes very irregular. The coarse mesh equations thus impose conservation
requirements over a larger volume and in so doing reduce the error components at longer wavelengths.
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For each solution variable, , the normalized residual is given in general by:
(11.53)
where is the raw residual control volume imbalance, a p is representative of the control volume
coefficient, and is a representative range of the variable in the domain. The exact calculation of a
p and is not simple and is not presented here. However, some important notes are:
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Discretization Errors
2. a p is the central coefficient of the discretized control volume equation and therefore includes relevant
advection, diffusion, source linearization, and other terms.
3. For steady-state simulations, the time step is used only to underrelax the equations and is therefore ex-
cluded from the normalization procedure. This ensures that the normalized residuals are independent of
the time step. The transient term is included in a p for transient simulations.
4. For multiphase, if equations are coupled through an interphase transfer process (such as interphase drag
or heat transfer), the residuals are normalized by the bulk a p.
Like the principal variables being solved for, errors in these values are both generated by localized
sources and propagated (that is, amplified, advected, diffused) throughout the solution domain. Localized
sources of error result from the high-order terms that are excluded from the discrete approximations of
terms in the modeled equations. Conversely, error propagation results from the form of the terms that
are included in the discrete approximations. Both error sources and propagation are affected by the
solution and mesh distributions, as discussed in Controlling Error Sources (p. 347) and Controlling Error
Propagation (p. 347).
Finely spaced isotropic mesh distributions are ideal, but they are often not tractable. A more useful
strategy for reducing sources of solution error is to generate anisotropic meshes with fine spacing in
directions of most rapid solution variation and relatively coarse spacing in other directions. This is ex-
emplified by typical boundary layer meshes that are compressed in the direction of most rapid solution
variation (that is, normal to the wall).
It is important to realize, however, that sources of solution error are also affected by poor geometrical
mesh quality (see Measures of Mesh Quality in the CFX-Solver Modeling Guide). In particular, the error
source contributions due to the discretization of transient/storage, diffusion, source and Rhie-Chow re-
distribution terms increase with mesh anisotropy. This is why, for example, high orthogonality and low
expansion factors are recommended in boundary layer meshes where diffusive transport dominates.
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Errors are amplified by strong unphysical influences in the discrete form of the modeled equations.
These unphysical influences will lead to convergence difficulties, and in extreme cases, complete diver-
gence. Similar to error sources, error amplification is controlled through the choice of discretization
and/or the mesh distribution.
As highlighted above, (unphysical) negative influences may be introduced into the discretization through
the finite-element shape functions, and these influences may grow as geometrical mesh quality (see
Measures of Mesh Quality in the CFX-Solver Modeling Guide) deteriorates. Tri-linear shape functions, for
example, are more susceptible to negative influences than linear-linear shape functions. Nevertheless,
tri-linear shape functions are used as much as possible due to their improved accuracy, and linear-linear
shape functions are used whenever solution robustness is critical.
Geometrical mesh quality is important regardless of the shape functions used. An excellent example of
this occurs when mesh elements are folded. If the mesh is sufficiently folded, control volumes become
negative and the balance between the transient/storage and flow terms is rendered physically invalid.
The amount of a conserved quantity within a control volume will actually decrease given a net flow
into the control volume.
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