Kurbanaliev 2022 J. Phys. Conf. Ser. 2373 022011

Journal of Physics: Conference Series
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ICMSIT-III-2022 IOP Publishing
Journal of Physics: Conference Series 2373 (2022) 022011 doi:10.1088/1742-6596/2373/2/022011
Simulation of gaseous fuel jet combustion process in the

OpenFOAM package
A Y Kurbanaliev1, *, A K Kaleeva2, Mars kyzy Tattybubu1, Imatali kyzy

Kalyskan1 and U T Teshebaeva1
1
Osh State University, Osh, Kyrgyzstan
2
Kyzyl-Kiya Humanitarian Pedagogical Institute of Batken State University, Kyzyl-
Kiya, Kyrgyzstan
*
E-mail: [email protected]
Abstract. The general mathematical formulation of describing flows with chemical reactions
problem includes mass conservation, momentum, energy and concentrations equations for each
chemical substance, supplemented by the state equation and other thermodynamic relations.
Chemical kinetics, through the heat of reactions, relates the concentrations of various substances
to the energy equation. In many combustion systems, it is the chemical kinetics that determines
the characteristic spatial and temporal scales of the equations to be solved. In this paper, we
consider the problem of spray combustion of gaseous simple hydrocarbon fuel in a cylindrical
channel. Mathematical modeling was carried out within the framework of the open package
OpenFOAMv7, and the visualization of numerical results was carried out using Paraview 5.6.
Deep understanding and tuning of a simple gaseous reaction scheme in the OpenFOAM package
when modeling reacting flows is the goal of this work. It is shown that the CFD package used
makes it possible to successfully simulate this class of flows.
1. Introduction
The problem of improving the efficiency of the existing ones, the development of more compact, more
efficient power plants and the associated social task of environmental protection have concentrated the
efforts of researchers on various aspects of this problem. This is facilitated by significant progress in
understanding both turbulence and chemical kinetics, as well as the interaction between them. In
addition, the possibilities of modeling real physical processes on modern computers have reached a level
that provides the necessary reliability of the results obtained.
The description of the turbulent combustion process is a fundamental problem of fluid mechanics,
consisting in the simultaneous consideration of mixture microproperties, determined by the kinetics of
chemical transformations, and the macroproperties of the flow, described by the equations of the
dynamics of a viscous fluid. A realistic continuum model should combine these two different aspects in
a single approach.
The general mathematical formulation of the problem of describing flows with chemical reactions
includes the equations of mass conservation, momentum, energy, and concentrations for each chemical
substance, supplemented by the equation of state and other thermodynamic relations [1]. Chemical
kinetics, through the heat of reactions, relates the concentrations of various substances to the energy
Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution
of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
Published under licence by IOP Publishing Ltd 1
equation. In many systems with combustion, it is the chemical kinetics that determines the characteristic
spatial and temporal scales of the equations to be solved [2, 3]. This paper considers the problem of
combustion of gaseous simple hydrocarbon fuel in a cylindrical channel. Mathematical modeling was
carried out within the framework of the open package OpenFOAMv7 [4], and the visualization of
numerical results was carried out using Paraview 5.6 [5]. There are many works on the use of these
packages in modeling [6-9]. A deep understanding and adjustment of a simple gaseous fuel combustion
scheme in the OpenFOAM package when modeling reacting flows is the goal of this work.
2. Statement of the problem

The flame consists of two concentric cylinders - the main jet stream exits the central cylinder, and the
pilot jet exits the annulus. The scheme of the jet flow, without maintaining the scale, is shown in figure
1.
Figure 1. Three-dimensional cylindrical channel.
The central jet is a mixture of methane and air with a molar ratio of 1:3, an exit velocity of 49.6 m/s
and a temperature of 294 K. The pilot jet is a combustion product with a temperature of 1880 K and
spouting velocity of 11.4 m/s. The air flows parallel to the main jet at a velocity of 0.9 m/s. Additional
information about the characteristics of the jets at the entrance to the cylindrical channel is given in table
1.
Table 1. Physical properties of the jets.
Jets
Quantity
Central Jet Pilot Jet Air Jet
Temperature, K 294 1880 291
Velocity, m/s 49.6 11.4 0.9
CH4 0.1561 0 0
O2 0.1996 0.054 0.23
Mass
CO2 0 0.1098 0
Fraction
H2O 0 0.0942 0
N2 0.6473 0.7342 0.77
2
The values of the inner d and outer D diameters, the axial velocity component Uinlet, the turbulence
intensity I, the mixing length L, the temperature T, and the equivalence coefficient φ at the three input
boundaries of the computational domain are given in table 2.
Table 2. Numerical values of physical quantities at the inlet boundaries.
Uinlet, Intensity,
d, mm D, mm L, m T, K 𝜑
m/s I
Inlet CH4 - 7.2 49.6 0.0458 5.09 × 10−4 294 3.17
inlet Pilot 7.7 18.2 11.4 0.0628 7.35 × 10−4 1880 0.77
Inlet Air 18.2 300 0.9 0.0471 1.968 ×× 10−2 291 0
3. Mathematical model
Equations describing changes in average values, which at high Reynolds numbers have the form [1]:
Continuity equation:
𝜕𝜌 𝜕(𝜌𝑢𝑖 )
+ =0 (1)
𝜕𝑡 𝜕𝑥𝑖
The equation of conservation of momentum:

𝜕(𝜌𝑢𝑖 ) 𝜕(𝜌𝑢𝑖 𝑢𝑗 ) 𝜕𝑝 𝜕 𝜕𝑢 𝜕𝑢 2 𝜕𝑢
𝜕𝑡
+ 𝜕𝑥𝑗
= 𝜕𝑥 + 𝜕𝑥 [𝜇𝑒𝑓𝑓 ((𝜕𝑥 𝑖 + 𝜕𝑥𝑗) − 3 𝜕𝑥 𝑗 𝛿𝑖𝑗 )] (2)
𝑖 𝑖 𝑗 𝑖 𝑗
Enthalpy equation:
𝜕(𝜌ℎ) 𝜕(𝜌𝑢 ℎ) 𝜕(𝜌𝐾) 𝜕(𝜌𝑢 𝑘) 𝜕𝑝
𝜕𝑡
+ 𝜕𝑥 𝑖 + 𝜕𝑡 + 𝜕𝑥 𝑖 − 𝜕𝑡 =
𝑖 𝑖
𝜕𝑞 𝜕(𝜏𝑢 )
(3)
= 𝜕𝑥𝑖 + 𝜕𝑥 𝑖 + 𝜌𝐺 + 𝜌𝑔𝑖 𝑢𝑖
𝑖 𝑖
Equation for concentration:

𝜕(𝜌𝑌𝑖 ) 𝜕(𝜌𝑢 𝑌 ) 𝜕 𝜕𝑌
𝜕𝑡
+ 𝜕𝑥𝑗 𝑖 = 𝜕𝑥 (𝜇𝑒𝑓𝑓 𝜕𝑥 𝑖 ) + 𝑅𝑅 (4)
𝑗 𝑗 𝑗
In the above equations, ρ-density, t-time, U-velocity vector, p-pressure, μ-dynamic viscosity
coefficient, h-total enthalpy, K-kinetic energy, q-heat flow, τ-stress tensor, G-radiative energy, g-gravity
acceleration, Yi-specie mass fraction i, μeff-coefficient of effective dynamic viscosity and RR-rate of
chemical reaction, i, j=1,2,3. In this case, the transport coefficients of viscosity and thermal diffusivity
are functions of thermodynamic state variables, i.e. µ=µ(ρ, Т) and α_t=α_t(ρ, Т).
In order to solve equations (1-4) it is necessary to determine the Reynolds stresses and heat or mass
flows. It is at this point that the turbulence model is introduced, which expresses correlation moments
of a certain order in terms of correlation moments of a lower order or averaged flow characteristics. For
turbulent flows with chemical reactions, when the reactants are strongly diluted by the main
homogeneous gas, the closure problem is divided into two different problems - hydrodynamic and
chemical. The hydrodynamic problem is essentially the same as for turbulent flows without chemical
reactions.
4. Turbulent fluctuations accounting

To simulate the effect of turbulent fluctuations on the flow hydrodynamics, the RNG k-ε–turbulence
model [10] was used, which consists of the following two transfer equations for the kinetic energy of
turbulence k and the specific rate of its dissipation ε:
The equation for the turbulence kinetic energy is:
3
𝜕(𝜌𝑘) 𝜕(𝜌𝑢𝑖 𝑘) 𝜕 𝜇 𝜕𝑘
𝜕𝑡
+ 𝜕𝑥𝑖
= 𝜕𝑥 [(𝜇 + 𝜎 𝑡 ) 𝜕𝑥 ] + 𝑃𝑘 + 𝜌𝜀 (5)
𝑗 𝑘 𝑗
The equation for the specific rate of turbulence kinetic energy dissipation:
𝜕(𝜌𝜀) 𝜕(𝜌𝑢𝑖 𝜀) 𝜕 𝜇 𝜕𝜀 ∗ 𝜀 𝜀2
𝜕𝑡
+ 𝜕𝑥𝑖
= 𝜕𝑥 [(𝜇 + 𝜎𝑡 ) 𝜕𝑥 ] + 𝐶1𝜀 𝑘 𝑃𝑘 − 𝜌𝐶2𝜀 𝑘
(6)
𝑗 𝜀 𝑗
where
𝜂
(𝐶𝜇 𝜂 3 (1 − 𝜂 ) 𝑆𝑘 1 1 𝜕𝑢𝑖 𝜕𝑢𝑗
∗ 0
𝐶2𝜀 = 𝐶2𝜀 + ;𝜂= ; 𝑆 = (2𝑆𝑖𝑗 𝑆𝑖𝑗 )2 ; 𝑆𝑖𝑗 = ( + );
(1 + 𝛽𝜂 3 ) 𝜀 2 𝜕𝑥𝑗 𝜕𝑥𝑖
The dynamic eddy viscosity is calculated according to the following formula:
𝜇𝑡 = 𝜌𝐶𝜇 𝑘 2 /𝜀; 𝜇𝑒𝑓𝑓 = 𝜇𝑡 + 𝜇; (7)
Closure factors have the following quantities:
𝐶𝜇 = 0.0845; 𝜎𝑘 = 𝜎𝜀 = 0.7194; 𝐶1𝜀 = 1.42; 𝐶2𝜀 = 1.68; 𝜂0 = 4.38; 𝛽 = 0.012;
5. Chemical kinetics and thermophysical data accounting

Hydrocarbon fuels combustion involves the initial separation of the original fuel molecule into transient
formation, with the final conversion into final products, usually CO2 and H2O. The mechanism can be
developed systematically, starting with simple substances and reactions that are common under the
elements in the combustion of more complex substances, and then adding new substances and reactions
in increasing complexity. Each level of the added part of the mechanism must be tested and verified by
comparing the numerical results with the corresponding experimental data.
A simple global reaction representing hydrocarbon fuel oxidation has the following form:
𝐶𝑥 𝐻𝑦 + 𝑛1 𝑂2 = 𝑛2 𝐶𝑂2 + 𝑛3 𝐻2 𝑂 (8)
where 𝑛1 = 𝑥 = 𝑦/4, 𝑛2 = 𝑥 and 𝑛3 = 𝑦/2- stoichiometric reaction coefficients (4), depending on fuel
type. This global reaction is often a suitable method for approximating actually occurring elementary
reactions. Therefore, its rate must be represented by a suitable generalization of the rates of all included
elementary reactions. This simple expression for rate usually has the following form [11]:
𝑘(Т) = АТ𝑛 𝑒𝑥𝑝(− 𝐸𝑎 ⁄𝑅 𝑇) (𝑓𝑢𝑒𝑙)а (𝑜𝑥𝑦𝑔𝑒𝑛 𝑐𝑎𝑟𝑟𝑖𝑒𝑟)𝑏 (9)
Empirical constants values A, n, Ea, a, and b are determined by comparing the calculation results
with experimental data. The reaction mechanism and kinetics, thermophysical and transport data are
stored in the chemkin file format [12] (grimech30.dat, thermo 30.dat and transportProperties) located in
the chemkin folder. The reaction mechanism used in this work is a simplified version of the GRI 3.0
mechanism that is suitable for modeling the combustion of C1-C3 hydrocarbons.
The reaction mechanism includes 36 types and 219 reactions. The chemkinToFoam utility is used to
convert these files into a format that can be interpreted by OpenFOAM. chemkinToFoam requires five
inputs: the addresses of three chemkin files and two OpenFOAM files to store the results. Next, one
needs to specify the full address of these files in the constant/thermophysicalProperties section so that
OpenFOAM finds and reads the necessary data during the operation of the reactingFoam solver used.
In addition, the last two lines indicate the address of the files that store the data on reactions,
thermodynamics, and species transfer.
6. Computational domain and mesh

Due to axial symmetry, a three-dimensional problem can be reduced to a two-dimensional one. The
computational domain used, as well as the applied boundary conditions, are shown in figure 2 without
maintaining geometric proportions.
4
Figure 2. Computational domain and boundary conditions.
A two-dimensional computational mesh built using the blockMesh utility is shown in figure 3.
Figure 3. Computational mesh and coordinate system.
7. Initial and boundary conditions

The process of lean combustion of the pilot flame is not solved, instead, the condition corresponding to
the product of the combustion process is set at the inlet. The temperature at the channel inlet is set equal
to 1880 K, and the product concentration was calculated separately for a premixed undeformed flame at
φ = 0.7. Air with a temperature of 291 K at the inlet enters the cylindrical channel at a velocity of 0.9
m/s. For the velocity, the no-slip condition is specified on the channel walls. Wall functions are used
both for near-wall sections for k and for νt. The outlet pressure is set to 101325 Pa.
The initial and boundary conditions for the main variables are given in table 3, and the concentrations
of some chemicals are listed in table 4.
Table 3. Initial and boundary conditions for the main variables.
Internal
Variable Inlet Outlet Wall
field
101325 totalPressure
Pressure, p zeroGradient zeroGradient
Pa $internalField
49.6 m/s, pressureInlet
Velocityvecto (0, 0 0.9)
11.4 m/s, OutletVelocity noSlip
r, U м/с
0.9m/s
294 K
Temperature,
300 К 1880 K, zeroGradient zeroGradient
T
291 K
5
Turbulent calculated; calculated; compressible:

thermal
0.0
diﬀusivity,
alphat $internalField; $internalField; :alphatWallFunction
turbulentIntensityKineticEner
kqRWallFunction
gyInlet;
intensity 0.0458 uniform 30
Turbulent turbulentIntensityKineticEner
kinetic 30 gyInlet zeroGradient
energy, k intensity 0.0628
turbulentIntensityKineticEner
gyInlet;
intensity 0.0471
turbulentMixingLengthDissipa
epsilonWallFunction
tionRateInlet;
mixingLength 0.000504; uniform 30000
Turbulent
tionRateInlet;
dissipation 30000 zeroGradient
rate, ε mixingLength 0.000735;
tionRateInlet;
mixingLength 0.019677;
Turbulent calculated calculated nutkWallFunction

0.0
viscosity, nut $internalField $internalField $internalField
Radiation, G 0.0 MarshakRadiation MarshakRadiation MarshakRadiation
Mass
fractions of
the species:
CH4, CO,
CO2, H2O, 0, 0, Look table 4
N2, H2, O, 0,0, zeroGradient zeroGradient
O2,OH 0.77,0,0,
0.23,0
The Ydefault 0 zeroGradient zeroGradient
Table 4. Specie Mass fractions at the inlet.

N2 O2 CH4 CO2 H2O H2 OH CO O H
Inlet
0.6473 0.1966 0.1561 0 0 0 0 0 0 0
CH4
inlet
0.7342 0.054 0 0.1098 0.0942 1.29e-4 2.8e-3 4.07e-3 7.47e-4 2.48e-5
Pilot
Inlet
0.77 0.23 0 0 0 0 0 0 0 0
Air
6
The Ydefault value is used when a large number of species have a common set of boundary
conditions, i.e. a default set, which is useful when many species are involved.
8. Calculation results and discussion

The results of numerical calculations of velocity vector fields, temperature and main reactants and
turbulent viscosity, visualized using Paraview 5.6, are presented in the following figures 4-6.
Figure 4. Fields of the velocity vector (left) and temperature (right).
Figure 5. Fields CH4 (left) and CO2 (right).
7
Figure 6. Fields of H2O (right) and turbulent viscosity (right).
Comparisons of numerical calculations results with the corresponding experimental data are shown
in figures 7-10.
Figure 7. Axial temperature profile.
Figure 8. Axial longitudinal velocity profile.
8
The coordinates of the measuring points, in the sections of which the experimental measurements
were carried out, are given in table 5.
Table 5. The coordinates of the measuring points.
Points 1 2 3 4 5 6 7 8
z, м 0.0072 0.0144 0.0216 0.0540 0.108 0.216 0.324 0.432
The greatest difference between the numerical data and the corresponding experimental data is
observed in the sections z=0.0072 m and z=0.0144 m. m (see figure 9). However, these maxima are not
observed in the numerical experiment. In other sections downstream, except for the section z=0.108 m,
the radial profiles of the axial velocity correspond to the experimental data.
9
Figure 9. Radial profiles of axial velocity.
10
Figure 10. Radial profiles of transverse velocity.
Comparison transverse component of velocity vector profiles with the experimental data in different
sections downstream (see figure 10) indicates that the nature of the change in this component of the
velocity corresponds to the nature of the change in the experimental data. However, in the numerical
experiment in the section z=0.4322 m (this is z/D=60, where D is the diameter of the central jet -
methane), oscillations of transverse velocity radial profile are observed (see figure 10, last figure). At
the same time, the experimental radial profile has a smooth change.
In general, it can be said that the OpenFOAM package allows to adequately model a turbulent
reacting flow of gaseous fuel.
9. Conclusions
In this work, the problem of combustion of gaseous simple hydrocarbon fuel CH4 in a cylindrical
channel is considered. Mathematical modeling was carried out within the framework of the open
package OpenFOAMv7, and the visualization of numerical results was carried out using Paraview 5.6.
A deep understanding and tuning of the simple gaseous reaction scheme in the OpenFOAM v7 package
when modeling reacting flows is the goal of this work. By comparing the numerical results with the
corresponding experimental data, it is shown that the OpenFOAMv7 CFD package used makes it
possible to successfully simulate the considered class of flows.
References
[1] Fox R O 2003 Computational Models for Turbulent Reacting Flows (Cambridge University
Press)
[2] 1983 Turbulent Flows of Reacting Gases ed P A Libby and F A Williams. (Moscow: Mir) p 328
[3] Warnatz J, Maas U and Dibble R W 2006 Combustion (Verlag Berlin Heidelberg: Springer) p
378
[4] OpenFOAM v7 User Guide (edited on 11 August 2021) Retrieved from:
https://cfd.direct/openfoam/user-guide-v7/
[5] Paraview User's Guide (edited on 11 August 2021) Retrieved from:
https://docs.paraview.org/en/latest/
[6] Kurbanaliev A I, Maksutov A R, Obodoeva G S, and Oichueva B R 2019 Using OpenFOAM
Multiphase Solver interFoam for Large Scale Modeling. Proceeding of The World Congress
on Engineering and Computer Science (edited on 1 August 2021) (San Francisco, USA, 22-
24 October 2019) Retrieved from: http://www.iaeng.org/publication/WCECS2019/
[7] Kurbanaliev A Y and Zhainakov A Zh 2013 Verification of the open package OpenFOAM on
problems of breaking dams. Thermal physics and aeromechanics Institute of Thermal Physics
SB RAS, Novosibirsk 20(4) 461-72
11
[8] Kurbanaliev A Y, Oichueva B R, Kalmurzaeva A T, Zhainakov A Zh and Kultaev T Ch 2021

Critical comparison of different versions of the OpenFOAM package on the spillway modeling
problem Computational technologies 26(2) 44-57
[9] Dezhi Zhou, Shufan Zou and Suo Yang 2020 An OpenFOAM-Based Fully Compressible Reacting
Flow Solver with Detailed Transport and Chemistry for High-Speed Combustion Simulations
(Orlando, Florida, USA: AIAA SciTech 2020 Forum)
[10] Yakhot V, Orszag S A, Thangam S, Gatski T B and Speziale C G 1992 Development of turbulence
models for shear flows by a double expansion technique Physics of Fluids A 4(7) 1510-20
[11] Sandia/TUD Piloted CH4/Air Jet Flames Retrieved from: https://tnfworkshop.org/data-
archives/pilotedjet/ch4-air/
[12] Chemkin Retrieved from: https://www3.nd.edu/~powers/ame.60636/chemkin2000.pdf
12

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Journal of Physics: Conference Series

PAPER • OPEN ACCESS You may also like

- Computational analysis in underexpanded

- Steady-state capabilities for hydroturbines

This content was downloaded from IP address 103.181.226.15 on 05/09/2023 at 07:55

Simulation of gaseous fuel jet combustion process in the

A Y Kurbanaliev1, *, A K Kaleeva2, Mars kyzy Tattybubu1, Imatali kyzy

2. Statement of the problem

Figure 1. Three-dimensional cylindrical channel.

The equation of conservation of momentum:

Equation for concentration:

4. Turbulent fluctuations accounting

5. Chemical kinetics and thermophysical data accounting

6. Computational domain and mesh

Figure 2. Computational domain and boundary conditions.

Figure 3. Computational mesh and coordinate system.

7. Initial and boundary conditions

Turbulent calculated; calculated; compressible:

Turbulent calculated calculated nutkWallFunction

Table 4. Specie Mass fractions at the inlet.

8. Calculation results and discussion

Figure 4. Fields of the velocity vector (left) and temperature (right).

Figure 5. Fields CH4 (left) and CO2 (right).

Figure 6. Fields of H2O (right) and turbulent viscosity (right).

Figure 7. Axial temperature profile.

Figure 8. Axial longitudinal velocity profile.

Figure 9. Radial profiles of axial velocity.

Figure 10. Radial profiles of transverse velocity.

[8] Kurbanaliev A Y, Oichueva B R, Kalmurzaeva A T, Zhainakov A Zh and Kultaev T Ch 2021

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