AdvancedCFD 2018 Lecture10
AdvancedCFD 2018 Lecture10
AdvancedCFD 2018 Lecture10
Rixin Yu
1
A general guide for CFD of reacting flow
Know the physics governing the problem of interest:
Important physics includes:
Low/high speed flow, non-negligible acoustic interaction?
Combustion modes: premixed / non-premixed/ auto-ignition?
Laminar/ turbulent flow
Find the characteristic scales (in time and space) of your physical problem.
Turbulence: estimate the largest and smallest flow scale.
Combustion:
Flame dominance: flame thickness/speed, inner-reaction-zone thickness
Auto-ignition dominance : Ignition delay time
Kinetic dominance: time-scale of various elementary reactions
Check the overlapping in scales from different physics
Decouple scales differing by order of magnitude(stiffness remover)
Otherwise, either resolve those scales or use a good model.
While most natural phenomena affecting human survival are either at large scales (firestorm, glacier movement) or small scales
(lightning, mites) occurring at large or small scale velocities, respectively, technical combustion devices operate at the human
scale of the order of 1 m and at velocities comparable to the laminar burning velocity which is of the order of 1 m/s. [Peters]
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Scales in the system of turbulent reacting flow
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What we mean by saying “reacting flow”
Chemical Reaction(Gas phase)
It involves a mixture of multi-components species
Different thermodynamic proprieties
Heat capacity, Molecular weight,…
It is governed by a large (detail) chemical kinetic mechanism
Multi-elementary reactions, Nonlinear reaction rates…
……
Transport-coupling of flow and reaction
Multi-component species
different mass diffusivities, heat conductivity
Reaction releases heat
dilation, density and viscosity variation…
…….
Flow:
Laminar flow of various type
Flow instability, transition to turbulence, ….
Turbulent flow
A wide range of cascading scales, ….
High speed compressible flow
shock wave and rarefaction wave …..
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…..
Let first look an “isolated”+“stationary” 0-D reacting system
Neglect transport, or in other words, neglect derivative in space
It is a non-linear dynamical system, i.e. a set of ODE equations solved for (), , (), k=1,,,N)
, starting at = 0. whose solution is a trajectory in high dimensional phase space, spanned by
N+2 unknown coordinates.
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Let we look an ½-D reacting system being divided into multiple
“stationary” zones but sharing the same pressure (i.e. drop “isolate”)
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Now enable transport, (≥ 1 D) laminar reacting system
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Non-premixed combustion in DIESEL engine
High-speed video of DIESEL combustion.
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Non-premixed flame
The mixture fraction can be obtained by solving an simple transport equation.
/ − 1 species
QR4 QRST 4 Q Q4
reduced
+ = (RV )
mass equations
Q Q1T Q1U Q1U
+
Energy equations No source term! Simple to solve
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Laminar premixed flame
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Propagating premixed flame in Spark-ignition (SI) engine
A true transparent engine, high-speed video shows propagating flame after spark
https://www.youtube.com/watch?v=xflY5uS-nnw#t=04m50s
https://www.youtube.com/watch?v=xflY5uS-nnw#t=05m23s
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Laminar premixed flame
for 1D toy reacting system with Low Mach assumption
Aslo assume equal thermodynamic properties (molecular weight, 7Z ), transport properties (V, h),
Mass fraction of:
Product: Fuel → Product
Fuel : 1 −
ef 1, ≠ ; () = rqwx.
V Q Q=
R7Z − = h = − XY Z Δℎj,Z
k
1 b
V Q Q1
Energy:
a c
XY Z[\] = z{|} 1− ` b
^_
QR Q RS
7Z + 7Z Note: to prevent spontaneous auto-ignition of the fresh reactant after very
Q Q1 long time, a truncation is used to force zero XY at exponent tail of ` ab20
c /b
Laminar premixed flame
for a constant-pressure ((1, ) = rqwx) 1D toy reacting system( Low Mach assumption)
Toy system containing only fuel/product: mass fraction: product: fuel: 1 −
Fresh cold reactant 0.1 0.3 0.5 0.9 Burned hot product
= 0, = 1,
n = 300v 300v 300v 300v 300v o = 2000v
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Laminar premixed flame
for a constant-pressure ((1, ) = rqwx) 1D toy reacting system( Low Mach assumption)
Toy system containing only fuel/product with mass fraction: product: fuel: 1 −
1 b
a bc
XY Z[\] = (1 − ) `
^_
Fresh cold reactant 1 1 1 1
Burned hot product
= 0, = 1,
n = 300v 350v 800v 1500v 1900v o = 2000v
If we assume now:
Enabled heat diffusion
(1) Enable heat diffusion
(2) No species diffusion
(3) Viscosity does not matter
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Laminar premixed flame
for a constant-pressure ((1, ) = rqwx) 1D toy reacting system( Low Mach assumption)
Toy system containing only fuel/product with mass fraction: product: fuel: 1 −
Enable both:
Reactant diffusion
Heat diffusion
T
0.1 0.5 0.9 0.92
Fresh cold reactant Burned hot product
= 0, = 1,
n = 300v 350v 800v 1500v 1900v o = 2000v
1 b
a bc
XY Z = (1 − ) `
Highest reaction rate
achieved in the middle ^_
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Steady state solution of Laminar premixed flame
for a constant-pressure 1D toy reacting system( Low Mach assumption)
Toy reacting system containing only fuel/product [mass fraction: product: fuel: 1 − ]
Conservation laws of: Now: Enable heat diffusion and Enable species diffusion
1 … −2 1 … ∗ …
−1 1 UaK UaK UaK
1 V ∗ 1 −2 1 ∗
−1 1 U = 1 −2 1 U + ∗ U
2Δ1 UK Δ1 =
−1 1 1 −2 1 UK ∗ UK
−1 1 … 1 −2 … ∗ …
7 V l
= 7 aK V + 7 aK l
Laminar flame speed is the eigenvalue of the Conv./Diff./Reac. Matrix; is the eigenvector
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Laminar flame speed (deflagration wave)
the self-propagation speed relative (normal) to the side of fresh reactants
V
~
^_
is the laminar flame (deflagration) speed .
F
V is a characteristic diffusivity
,
^_ is time scale of chemical reaction x
F
Overall laminar flame thickness = / :
V
s¡ ~ ∶
Thickness of inner reaction zone :
s¡
s¢ ~
4`
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Turbulent premixed flame
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OH-PLIF image of turbulent premixed flame
Turbulent combustion
Turbulence
A range of flow scales, “each scale” has a “charactering velocity” and “time”
3D turbulence
Energy cascading down
¬~SkM /©
K ª
Length [ ] © …. ª ≡ « /¬
M 9 = l` aM/9
©
velocity [ ] S®
kf ®f = «/ª = l` aK/9
Sk
….
time [x] © ^®
^k = …. ^® = ª/S® = l` aK/=
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Sk ^k
Turbulence contains a wide range of flow scales
Note, this 2D “turbulence” does inverse energy cascade
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Regime diagram characterizing turbulent premixed combustion
Non-dimensional numbers for characterizing the interaction between turbulence and combustion
Assume: « = V
Sk © Sk ©
l` = =
« s¡
^k ©
V´ = =
^j Sk s¡
^j s¡=
v´ = =
^® ª =
(l` = V´ = v´= )
s¢=
v´¢ = = = µ = v´
ª
….
….
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Premixed combustion regime diagram
Interaction of 3D turbulence with a statistically planar premixed flame
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Interaction of 3D turbulence with a statistically planar premixed flame
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A modelling framework for (deflagration) premixed flame
the “flame-let” assumption
products
fresh reactant
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Model premixed flame as a self-propagating interface
using the level-set equation to track the interface
hot, products
(¹sqº xr´s`x >> ¹s´ ` xr´s` ) :
One such a model can be implemented using the
“levelset” equation for a signed distance function
»(5, ) representing the distance from the local point to
the nearest interface.
|¼»(5, )| = 1
Q ¾»
» + | ⋅ ¾» = ¸\_¸ ⋅ ¾»
Q ¾»
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A second model of turbulent premixed flame
(b) solving a single reaction-progress variable equation (ANSYS Fluent)
Instead of solving the detailed, heavy-duty system
composed of (N+1) number of transport equations, this
model solve a single transport equation for a reaction
progress variable r, r = 0 and 1 denotes fresh
burned products reactant and the burned products, which is basically
similar to a globally reprehensive specie (or
r=1 Temperature) equation, model should be introduced
for the reaction source term to yield a correct ¸\_¸ .
r = 0.5
r = 0.9 l`´r´w → ÃqtSr
https://www.youtube.com/watch?v=4ZysyokEU60
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Analyze a detonation wave and a deflagration wave in 1D
Physical conservation laws in a control volume moving together with the wave
Rayleigh line
No change as for pure shock.
Hugoniot curve
A new tweak to account for burning liberated41heat.
Theory: detonation and deflagration
Rayleigh line, Hugoniot curve in the p-v digaram
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Slides taken from Matalon’s princeton lecture (2011).
Deflagration to Detonation Transition (DDT)
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Zel’dovich, von Neuman, Doring (ZND) Theory
1D detonation wave structure
• supersonic: Detonation
– Detonation Initialization :
» Auto-ignition of high-reactivity reactant mixture pocket.
» Compression by the pressure spike due to travelling pressure waves
wall reflected at wall ; or local hot spots heating.
– Self-sustained propagation
» The leading (non-reacting) shock compresses and heat up the reactants.
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Combustion instability in premixed combustion
When self-propagating premixed flame goes above “1D”
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Intrinsic flame instability
– Mechanisms of premixed flame instability
• 1) Landau-Darrieus instability(hydrodynamic
instablity)
– Heat relased caused dillation
gas expansion and density difference
• 2) Diffussive-thermal instabilty
– Heat diffuses differently with the reactant mass
• 3) Rayleigh-Taylor instability
– Accelerate light matter into heavy matter
(velocity difference + density difference)
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Landau-Darrieus instability
Sketch explanation of mechanism
A>A01 SL
A01
u<SL
u0=SL
A<A02
u>SL A02
Flame
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Landau-Darrieus instability
Shape
characteristics:
Cusps,
troughs,
Cells (3D)
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Numerical simulation of fractal flame front structure in wide channel developed
due to Landau-Darrieus instability
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Diffusion-Thermal instability
Sketch explanation of the mechanism
A
Where is your tip?
cold fresh reactant
Hot products
Le=1 Le<1
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Rayleigh-Taylor instability
Wikipedia
Top heavier
”fingers” ”mushroom”
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Various types of Combustion instability
Diffusive-thermal, Darrius-Landau, Rayleigh-Taylor
Darrius-Landau
Law, 2000
Diffusive-thermal
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Average a turbulent flame front
Your eye indeed High speed Average
does the averaging single-shot using math
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Equations to model turbulent reacting flow
we need introduce Favre-average
Use a general average-operator directly on all the governing equations
RANS : Reynolds (time) average operator
LES : Spatial-filtering operator
DNS : null operator
For example:
QR QRSU
Take average
+ =⋯
Q Q1T
Problems
Average breaks,
QR QRSU enters derivative
+ =⋯
Q Q1T
Q QSU
For two variables, this is
already solved issue + =. .
for incompressible eq. Q Q1T
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Introduce Favre averaging ( É )
Previously: R = rqwx. apply Reynold average ( )
Ë́ = R´/R
p
Solution:
Faver average ( É ):
A new decompsoition ( ′′): ´ = Ë́ + ´ ff
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Equations for turbulent reacting flow
Solve for Favre-averaged unknowns quantiles, put all complexity into a turbulent flux term
R ⋅ ´ ⋅ Ê = R[ Ë́ + ´ff ÊÐ + Ê ff ]
= RË́ÊÐ + 0 + 0 + R´ff Ê′′
QRÌ QRST Ì
+ =⋯ Ì = [1, ℎ qà ` , , ]
Q Q1T
Exact
ÄÍÌÉ ÏÌ
ÄÍn É Ä
+ = ⋯− (RSTff Ì′′)
Averaged formed Î
ÄÂ Ä
Î Ä
Î
Turbulence flux
term to be modeled
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Equations for turbulent reacting flow
One more issue: the average reaction rate term
QR QRST
+ = ⋯ + XY
Q Q1T
ÒÑ
ÄÍ ÄÍnÎÒ
Ï Ä
+ = ⋯− (RSTff ′′) + XY
Ñ
ÄÂ Ä
Î Ä
Î
Øc
XY ÓÔ , , = … YÖ× exp − …
¦b
This term is highly nonlinear, difficult to model.
Some methods:
(1) Assumed we know the PDF , then do the averaging
(2) For turbulent premixed flame, it is often the grid is too coarse to resolve
the flame thickness, this term is then usually model together with the
turbulent flux term to yield a correct turbulent flame speed. 60
…
Other reacting flow topic
diffusion
• Partially premixed combustion flame
The scramjets 6 ≤ Ú´ ≤ 15 , ramjet 3 < Ú´ < 6 , normal jet engine 0 < Ú´ < 3