Modeling Turbulent Combustion

CEFRC Combustion Summer School

2014

Prof. Dr.-Ing. Heinz Pitsch

Copyright 2014 by Heinz Pitsch.

This material is not to be sold, reproduced or distributed
without prior written permission of the owner, Heinz Pitsch.

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

Application: RIF, steady flamelet model

Moment Methods for Reactive Scalars

Balance Equation for Reactive Scalars
The term reactive scalar
Mass fraction Y of all components = 1, N
Temperature T

Balance equation for

Di: mass diffusivity, thermal diffusivity

Si: mass/temperature source term
3

Balance Equation for Reactive Scalars

Neglecting the molecular transport (assumption: Re)
Gradient transport assumption for the turbulent transport

Averaged transport equation

not closed

idea: approach similar to (simple) turbulence models: expression as

a function of mean values
4

Moment Methods for Reactive Scalars

Assumption: heat release expressed by

B: includes frequency factor und heat of reaction

Tb: adiabatic flame temperature
E: activation energy

Approach for modeling the chemical source term

Proven method decomposition into mean and fluctuation

Moment Methods for Reactive Scalars

Taylor expansion at

Pre-exponential term

Exponential term

Leads to

(for

) of terms

Moment Methods for Reactive Scalars

As a function of Favre-mean at

yields

Typical values in the reaction zone of a flame

Intense fluctuations of the chemical source term around the mean value
Moment method for reactive scalars inappropriate due to strong non-linear
effect of the chemical source term
7

Example: Non-Premixed Combustion in Isotropic Turbulence

Favre averaged transport equation

Gradient transport model

One step global reaction

Decaying isotropic turbulence

Example: Non-Premixed Combustion in Isotropic Turbulence

Product Mass Fraction

Flamelet Closure Assumption

DNS data

Evaluation of chemical source

term with mean quantities

Closure by mean values does not work!

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

10

Application: RIF, steady flamelet model

Simple Models for Turbulent Combustion

Example: standard models in

Fluent
Very simple models,
e.g. based on

3.
4.
2.
5.

very fast chemistry

no consideration of turbulence

Quelle: Fluent 12 users guide

11

1. Eddy-Break-Up-Model
First approach for closing the chemical source term was made by Spalding (1971)
in premixed combustion
unburnt
mixture

hot burnt gas

flow

Assumption: very fast chemistry (after pre-heating)

Combustion process
Breakup of eddies from the unburnt mixture smaller eddies
Large surface area (with hot burnt gas)
Duration of this breakup determines the pace

Eddy-Break-Up-Model (EBU)
12

1. Eddy-Break-Up-Modell
Averaged turbulent reaction rate for the products

: variance of mass fraction of the product

CEBU: Eddy-Break-Up constant

EBU-modell
turbulent mixing sufficiently describes the combustion process
chemical reaction rate is negligible

Problems with EGR, lean/rich combustion

further development by Magnussen & Hjertager (1977): Eddy-DissipationModel (EDM)
13

2. Eddy-Dissipation-Model
EDM: typical model for eddy breakup
Assumption: very fast chemistry
Turbulent mixing time is the dominant time scale

Chemical source term

YE, YP: mass fraction of reactant/product

A, B: Model parameter (determined by experiment)

14

2. Eddy-Dissipation-Model
Example: diffusion flame, one step reaction

YF > YF,st , therefore YO < YF YE = YO

YF < YF,st YE = YF

15

Rsum EDM

Controlled by mixing
Very fast chemistry
Application: turbulent premixed and nonpremixed combustion
Connects turbulent mixing with chemical reaction
rich or lean?
full or partial conversion

Advantage: simple and robust model

Disadvantage
No effects of chemical non-equilibrium (formation of NO, local extinction)
Areas of finite-rate chemistry:
Fuel consumption is overestimated
Locally too high temperatures

16

3. Finite-Rate-Chemistry-Model (FRCM)
Chemical conversion with finite-rate
Capable of reverse reactions
Chemical source term for species i in a reaction

kf, , kb,: reaction rates(determined by Arrhenius kinetic expressions

models the influence of third bodies

Linearization of the source term centered on the operating point

Integration into equations for species, larger t realizable
Typical approach for detailed computation of homogeneous systems
17

Rsum FRCM
Chemistry-controled
Appropriate for tchemistry > tmixng (laminar/laminar-turbulent)
Application
Laminar-turbulent
Non-premixed

Source term: Arrhenius ansatz

Mean values for temperature in Arrhenius expression
Effects of turbulent fluctuations are ignored
Temperature locally too low

Consideration of non-equilibrium effects

18

4. Combination EDM/FRCM
Turbulent flow
Areas with high turbulence and intense mixing
Laminar structures

Concept: Combination of EDM and FRCM

For each cell: computation of both reaction rates
and
The smaller one is picked (determines the reaction rate)

Choses locally between chemistry- and mixing-controlled

Advantage: Meant for large range of applicability

Disadvantage: no turbulence/chemistry interaction

19

5. Eddy-Dissipation-Concept (EDC)
Extension of EDM Considers detailed reaction kinetics
Assumption: Reactions on small scales (*: fine scale)

Fluent: C = 2,1377

Volume of small scales:

Reaction rates are determined by Arrhenius expression (cf. FRCM)
Time scale of the reactions

Fluent: C = 0,4082

20

5. Eddy-Dissipation-Concept (EDC)
Boundary/initial conditions for reactions (on small scales)

Assumption: pressure p = const.

Initial condition: temperature and species concentration in a cell
Reactions on time scale
Numerical integration (e.g. ISAT-Algorithm)

Model for source term

Problem:
Requires a lot of processing power
Stiff differential equation

21

Mass fraction on small scales of

species i after reaction time *

Rsum: Simple Combustion Models

Solely calculation by Arrhenius equation

turbulence is not considered
Calculation of Arrhenius reaction rate and
mixing rate; selection of the smaller one
local choice: laminar/turbulent
3.
4.
2.
5.

Solely calculation of mixing rate

Chemical kinetic is not considered

Quelle: Fluent 12 users guide

Modeling of turbulence/chemistry
interaction; detailed chemistry

22

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

23

Application: RIF, steady flamelet model

Introduction to Statistical Methods

Introduction to statistical methods

Sample space
Probability
Cumulative distribution function(CDF)
Probability density function(PDF)
Examples for CDFs/PDFs
Moments of a PDF
Joint statistics
Conditional statistics

24

Pope, Turbulent Flows

Sample Space
Probability of events in sample space
Sample space: set of all possible events
Random variable U
Sample space variable V (independent variable)

Event A

Event B

25

Probability
Probability of the event

Probability p

impossible event

26

sure event

Cumulative Distribution Function (CDF)

Probability of any event can be determined from cumulative distribution
function (CDF)
Event A

Event B

27

Cumulative Distribution Function (CDF)

Three basic properties of a CDF
1.
2.
3.

Occuring of event
is impossible
Occuring of event
is sure
F is a non-decreasing function

as

CDF of Gaussian distributed

random variable

28

Probability Density Function (PDF)

Derivative of the CDF probability density function

Three basic properties of a PDF

1.
2.

CDF non-decreasing
PDF
Satisfies the normalization condition

3.

For infinite sample space variable

PDF of Gaussian distributed
random variable

29

Probability Density Function (PDF)

Examining the particular interval Va U < Vb

Interval Vb - Va 0:

30

Example for CDF/PDF

Uniform distribution

Source:
Pope, Turbulent Flows

31

Example for CDF/PDF

Exponential distribution

Source:
Pope, Turbulent Flows

32

Example for CDF/PDF

Normal distribution

Source:
Pope, Turbulent Flows

33

Example for CDF/PDF

Delta-function distribution

or

Source:
Pope, Turbulent Flows

34

Moments of a PDF
PDF of U is known n-th moment

Example: first moment (n = 1): mean of U

35

Q: random function,
with Q = Q(U)

Central Moments
n-th central moment

Example: second central moment (n = 2): variance of U

36

Joint Cumulative Density Function

Joint CDF (jCDF) of random variables U1, U2 (in general Ui, i = 1,2,)

Source:
Pope, Turbulent Flows

37

Joint Cumulative Density Function

Basic properties of a jCDF
Non-decreasing function

Since

is impossible

Since

is certain

equally
marginal CDF

38

Joint Probability Density Function

Joint PDF (jPDF)

Fundamental property:

Source:
Pope, Turbulent Flows

39

Joint Probability Density Function

Basic properties of a jPDF
Non-negative:

Satisfies the normalization condition

Marginal PDF

40

Joint Statistics
For a function Q(U1,U2,)

Example: i = 1, 2; n = 1;

, covariance of U1 and U2

Scatterplot of two
velocitycomponents U1
and U2

Covariance shows the correlation of two variables

41

Conditional PDF
PDF of U2 conditioned on U1 = V1

Bayes-Theorem

jPDF f1,2(V1,V2) scaled so that

it satisfies the normalization condition

Conditional mean of a function Q(U1,U2)

42

Statistical Independence
If U1 and U2 are statistically independent, conditioning has no effect

Bayes-Theorem

Therefore:

Independent variables uncorrelated

In general the converse is not true

43

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

44

Application: RIF, steady flamelet model

The PDF Transport Equation Model

Similar to moment methods, models based on a pdf transport equation for the
velocity and the reactive scalars are usually formulated for one-point statistics

Within that framework, however, they represent a general statistical description of

turbulent reacting flows, in principle, independent of the combustion regime

A joint pdf transport equation for the velocity and the reactive scalars can be derived,
Pope (1990)

45

The PDF Transport Equation Model

There are several ways to derive a transport equation for the joint probability density
function P(v, ; x, t) of velocity v and the vector of reactive scalars (cf. O'Brien,
1980)
We refer here to the presentation in Pope (1985, 2000), but write the convective
terms in conservative form

where

is gradient with respect to velocity components, angular brackets are

conditional means, and the same symbol is used for random and sample space
variables
46

PDF Transport Equation: Closure Problem

The first two terms on the l.h.s. of

are the local change and convection of the probability density function in physical
space

The third term represents transport in velocity space by gravity and the mean
pressure gradient
The last term on the l.h.s. contains the chemical source terms
All these terms are in closed form, since they are local in physical space
47

PDF Transport Equation: Closure Problem

Note that the mean pressure gradient does not present a closure problem, since the

pressure is calculated independently of the pdf equation using the mean velocity
field

For chemically reacting flows, it is of particular interest that the chemical source
terms can be treated exactly
It has often been argued that in this respect the transported pdf formulation has a
considerable advantage compared to other formulations

48

PDF Transport Equation: Closure Problem

However, on the r.h.s. of the transport equation

there are two terms that contain gradients of quantities conditioned on the values
of velocity and composition
Therefore, if gradients are not included as sample space variables in the pdf
equation, these terms occur in unclosed form and have to be modeled

49

PDF Transport Equation: Closure Problem

The first unclosed term on the r.h.s. describes transport of the probability density
function in velocity space induced by the viscous stresses and the fluctuating

pressure gradient
The second term represents transport in reactive scalar space by molecular fluxes
This term represents molecular mixing
50

PDF Transport Equation: Closure Problem

When chemistry is fast, mixing and reaction take place in thin layers where molecular
transport and the chemical source term balance each other

Therefore, the closed chemical source term and the unclosed molecular mixing term,
being leading order terms in a asymptotic description of the flame structure, are closely

linked to each other

Pope and Anand (1984) have illustrated this for the case of premixed turbulent
combustion by comparing a standard pdf closure for the molecular mixing term with a
formulation, where the molecular diffusion term was combined with the chemical source
term to define a modified reaction rate

They call the former distributed combustion and the latter flamelet combustion and find
considerable differences in the Damkhler number dependence of the turbulent burning
velocity normalized with the turbulent intensity
51

PDF Transport Equation: Solution

From a numerical point of view, the most apparent property of the pdf transport
equation is its high dimensionality
Finite-volume and finite-difference techniques are not very attractive for this type of
problem, as memory requirements increase roughly exponentially with
dimensionality
Therefore, virtually all numerical implementations of pdf methods for turbulent
reactive flows employ Monte-Carlo simulation techniques (cf. Pope, 1981, 1985)
The advantage of Monte-Carlo methods is that their memory requirements depend
only linearly on the dimensionality of the problem
52

PDF Transport Equation: Solution

Monte-Carlo methods employ a large number, N, of so called notional particles (Pope,
1985)
Particles should be considered different realizations of the turbulent reactive flow
problem under investigation
Particles should not be confused with real fluid elements, which behave similarly in a
number of respects
Statistical error decreases with N1/2
-

Slow convergence

53

Application TPDF Model in LES of Turbulent Jet Flames

LES/FDF of Sandia flames D and E (Raman & Pitsch, 2007)
Joint scalar pdf
Density computed through filtered enthalpy equation for improved numerical
stability
Detailed chemical mechanism

Modeled particle stochastic differential equations

54

Application TPDF Model in LES of Turbulent Jet Flames

Flame D:
Temperature

55

Flame E:
Temperature

Flame E:
Dissipation Rate

Application TPDF Model in LES of Turbulent Jet Flames

56

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

57

Application: RIF, steady flamelet model

Bray-Moss-Libby-Model
Flamelet concept for premixed turbulent combustion: Bray-Moss-Libby-Modell (BML)
Premixed combustion: progress variable c, e.g.

or

Favre averaged transport equation (neglecting the molecular transport)

not closed

Closure for turbulent transport and chemical source term by BML-Model

58

Bray-Moss-Libby-Model
Assumption: very fast chemistry, flame size lF << << lt
burnt
burnt

unburnt

Fuel conversion only in the area of thin flame front

in the flow field
Burnt mixture or
Unburnt mixture,
Intermediate states are very unlikely
59

Bray-Moss-Libby-Model
Assumption: progress variable is expected solely to be
c = 0 (unburnt) or c = 1 (burnt)
Probability densitiy function

: probabilities, to encounter
burnt or unburnt mixture in the
flow field
No intermediate states
: Delta function

60

Bray-Moss-Libby-Model
instantaneous
flame front

unburnt

61

mean
flame front

burnt

BML-closure of Turbulent Transport

For a Favre average

Therefore the the unclosed correlation

joint PDF for u and c
(Bayes-Theorem)

Introducing the BML approach for f(c) leads to

conditional PDF

62

delta function

BML-closure of Turbulent Transport

With

follows

63

Bray-Moss-Libby-Model: countergradient diffusion

Because of u = const. through flame front: u just as much as

Because of c 0

Flame front
c

Within the flame zone

conflict

Gradient transport assumption would be

uu

ub

uuu = bub

Conflict: countergradient diffusion

64

BML-closure of Chemical Source Term

Closure by BML-model f(c) leads to
Closure of the chemical source term, e.g. by flame-surface-density-model

local mass conversion

per area

Flchen-Dichte
(flamen area per volume)

I0: strain factor local increase of burning velocity by strain

Flame-surface-density
e.g. algebraic model:

Or transport equation for

65

Flame crossing length

BML-closure of Chemical Source Term

Transport equation for

local
change

convectiv
change

turbulent
transport

production due to
stretching of the flame

No chemical time scale

Turbulent time ( = k/) is the determining time scale
Limit of infinitely fast chemistry
By using transport equations
model for chemical source term independent of sL

66

flameannihilation

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

67

Application: RIF, steady flamelet model

Level-Set-Approach
Kinematics of the flame front by
examining the movement of
single flame front-particles
Movement influenced by

instantaneous
flame front

Local flow velocity ui, i = 1,2,3

Burning velocity sL
particle

normal
vector

68

G-Equation
Instead of observing a lot of particles
examination of a scalar field G
Iso-surface G0 is defined as the
flame front

Substantial derivative of G (on the flame front)

unburnt

69

burnt

Example: Level-Set-Method

70

G-Equation for Premixed Combustion

Kinematics
normal vector

and

lead to

unburnt

G-Equation for premixed combustion

71

burnt

G-Equation in the Regime of Corrugated Flamelets

local
change

convective
change

progress of flame front

by burning velocity

No diffusive term
Can be applied for
Thin flames
Well-defined burning velocity

Regime of corrugated flamelets ( >> lF >> l)

72

unburnt

burnt

G-Equation in the Regime of Corrugated Flamelets

Kinematic equation f()

Valid for flame position: G = G0 (= 0)
For solving the field equation, G needs
to be defined in the entire field
Different possibilities to define G, e.g.
signed distance function
unburnt

73

burnt

G-Equation in the Regime of Corrugated Flamelets

Influence of chemistry by sL
sL not necessarily constant,
influenced by
strain S
curvature
Lewis number effect

Modified laminar burning velocity

unburnt

74

burnt

Laminar Burning Velocity: Curvature

influence of curvature
uncorrected laminar
burning velocity

unburnt
G<0

burnt
G>0

75

Laminar Burning Velocity: Markstein Length

uncorrected laminar
burning velocity

Markstein length
Determined by experiment
Or by asymptotic analysis

density
ratio

76

Zeldovich number

Lewis number

Extended G-Equation
influence of curvature
uncorrected laminar
burning velocity

Markstein length

Extended G-Equation

77

influence of strain

G-Equation: Corrugated Flamelets/Thin Reaction Zones

Previous examinations limited to the regime of corrugated flamelets
Thin flame structures ( >> lF >> l)
Laminar burning velocity well-defined

Regime of thin reaction zones

no longer
valid

Small scale eddies penetrate the preheating zone

Transient flow
Burning velocity not well-defined

Problem: Level-Set-Approach valid in the regime of thin reaction zones?

78

G-Equation: Regime of Thin Reaction Zones

Assumption: G=0 surface is represented by inner reaction zone
Inner reaction zone
Thin compared to small scale eddies, l <<
Described by T(xi,t) = T0

Temperature equation

Iso temperature surface T(xi,t) = T0

79

G-Equation: Regime of Thin Reaction Zones

Equation of motion of the iso temperature surface T(xi,t) = T0

With the displacement speed sd

Normal vector

80

G-Equation: Regime of Thin Reaction Zones

With G0 = T0

Diffusion term normal diffusion (~sn) and curvature term (~)

G-equation for the regime of thin reaction zones

81

Common Level Set Equation for Both Regimes

Normalize G-equation with Kolmogorov scales (, , u)

leads to

82

Order of Magnitude Analysis

O(Ka-1/2)

Non dimensional
Derivatives, ui*, * O(1)

Typical flame
Sc = /D 1 D/ = O(1)

Parameter: sL/u
Ka = u2/sL2 sL/u = Ka-1/2
sL,s sL

83

O(1)

G-Equation for both Regimes

O(Ka-1/2)

O(1)

Thin reaction zones: Ka >> 1

curvature term is dominant
Corrugated flamelets: Ka << 1
sL term is dominant
Leading order equation in both regimes

Assumption:

84

const.

const.

Statistical Description of Turbulent Flame Front

Probability density function of finding G(xi,t) = G0 = 0

Experimental determination
in weak swirl burner
85

Statistical Description of Turbulent Flame Front

Consider steady one-dimensional premixed turbulent mean flame at position xf

Define flame brush thickness lf from f(x)

If G is distance function then

86

Favre-Mean- and Variance-Equation

Equation for Favre-mean
instantaneous
flame front

Equation for variance

can be interpreted as the area ratio of the

flame AT/A
Variance describes the average size of the flame

averaged
flame front

averaged
temperature profile

instantaneous
temperature profile

87

Modeling of the Variance Equation

Sink terms in the variance equation

Kinematic restoration

Scalar dissipation

are modeled by

88

G-Equation for Turbulent Flows

Introducing turbulent burning velocity

Equation for Favre mean

Equation for variance

89

G-Equation for Turbulent Flows

Modeling of turbulent burning velocity by Damkhler theory

90

G-Equation for Turbulent Flows

Favre mean of G

instantaneous
flame front

averaged
flame front

Favre-PDF

Mean temperature (or other scalar)

averaged
temperature profile

T(G)=T(x) taken from

laminar premixed flame
without strain

91

instantaneous
temperature profile

Example: Presumed Shape PDF Approach (RANS)

experiment

computed
numerically

92

Example: LES of a Premixed Turbulent Bunsen Flame

Premixed methan/air flame

Re = 23486
Broad, low velocity pilot flame heat losses to burner
Dilution by air co-flow

temperature

axial velocity
93

Time-Averaged Temperature and Axial Velocity at position x/D = 2.5

temperature

94

axial velocity

Time-Averaged Temperature and Axial Velocity at position x/D = 6.5

temperature

95

axial velocity

Turbulent Kinetic Energie at Position x/D = 2.5 and 6.5

x/D = 2,5

96

x/D = 6,5

LES Regime Diagram for Premixed Turbulent Combustion

97

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

98

Application: RIF, steady flamelet model

Conserved Scalar Based Models for Non-Premixed Combustion

Mixture fraction Z
Definition of Z
Coupling function:
1

With the dimensionless quantity

Mass of air per fuel mass: m2/mB

Mass of air per fuel mass at
stoichiometric conditions

99

Mixture Fraction Z

Stoichiometric Conditions (=1) Stoichiometric mixture fraction

Relation between Z and

Z: normalized local

=0Z=1
= 1 Z = Zst
=Z=0

100

Transport Equation for Z

Transport equation

Advantage: L(Z) = 0 No Chemical Source Term

BC: Z = 0 in Oxidator, Z = 1 in Fuel

If species and temperature function of mixture fraction, then

Needed:
Local statistics of Z (expressed by PDF)
Species/temperature as function of Z: Yi(Z) and T(Z)
101

Presumed PDF Approach

Equation for the mean

and the variance of Z

are known and closed

102

Presumed PDF Approach

b-function pdf for mixture fraction Z

With

103

Conserved Scalar Based Models for Non-Premixed Turbulent Combustion

Infinitely fast irreversible chemistry

Burke-Schumann solution
Solution = f(Z)

Infinitely fast reversible chemistry

Chemical equilibrium
Solution = f(Z)

Flamelet model for non-premixed combustion

Chemistry fast, but not infinitely fast
Solution = f(Z, )

Conditional Moment Closure (CMC)

Similar to flamelet model
Solution = f(Z,< |Z>)

104

Conserved Scalar Based Models for Non-Premixed Turbulent Combustion

Infinitely fast irreversible chemistry

Burke-Schumann solution
Solution = f(Z)

Infinitely fast reversible chemistry

Chemical equilibrium
Solution = f(Z)

105

Burke-Schumann Solution

106

Course Overview
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

107

Application: RIF, steady flamelet model

Flamelet Model for Non-Premixed Turbulent Combustion

Basic idea: Scale separation

Assume fast, but not infinitely fast
chemistry: 1 << Da <<
Reaction zone is thin compared to
small scales of turbulence and hence
retains laminar structure
Transformation and asymptotic
approximation leads to flamelet equations

108

Flamelet Model for Non-Premixed Turbulent Combustion

Balance equations for temperature, species and mixture fraction

With

it follows

109

Flamelet Equations

Consider surface of stoichiometric mixture

Reaction zone confined to thin layer
around this surface
Transformation to surface attached
coordinate system
x1, x2, x3, t Z(x1, x2, x3, t), Z2, Z3,

110

x3, Z3

x1, Z
x2, Z2

Transformation rules
Transformation: x1, x2, x3, t Z(x1, x2, x3, t), Z2, Z3, (where Z2 = x2 , Z3 = x3, = t)

Example: Temperature T
0

Analogous for x3
111

Flamelet Equations
Temperature equation

Transformed temperature equation:

112

Flamelet Equations
small

Local change
Describes mixing

Source term

If the flamelet is thin in the Z direction, an order-of-magnitude analysis similar to that

for a boundary layer shows that

is the dominating term of the spatial derivatives

Equivalent to the assumption that temperature derivatives normal to the flame
surface are much larger than those in tangential direction
T/ is important if very rapid changes, such as extinction, occur
113

Example
Example from DNS of Non-Premixed Combustion in Isotropic Turbulence

Temperature (color)
Stoichiometric mixture
fraction (line)

114

Flamelet Equations
Same procedure for the mass fraction
Flamelet structure is to leading order described by the one-dimensional timedependent equations

Instantaneous scalar dissipation rate at stoichiometric conditions

[st] = 1/s: may be interpreted as the inverse of a characteristic diffusion time

115

Temperature profiles for methane-air flames

Temperature profiles for methane-air flames

116

Flamelet Equations
Asymptotic analysis by Seshadri (1988)
Based on four-step model
Close correspondence between layers identified in premixed diffusion flames

117

Flamelet Equations

The calculations agree well

with numerical and
experimental data
They also show the vertical
slope of T0 versus st which
corresponds to extinction

118

Flamelet Equations
Steady state flamelet equations provide i = f(Z,st)
If joint pdf
is known
Favre mean of i:

If the unsteady term in the flamelet equation must be retained, joint statistics of
Z and st become impractical
Then, in order to reduce the dimension of the statistics, it is useful to introduce
multiple flamelets, each representing a different range of the -distribution
Such multiple flamelets are used in the Eulerian Particle Flamelet Model (EPFM)
by Barths et al. (1998)
Then the scalar dissipation rate can be formulated as function of the mixture
fraction
119

Flamelet Equations
Modeling the conditional Favre mean scalar dissipation rate

Flamelet equations

Favre mean

120

Flamelet Equations
Model for conditional scalar dissipation rate
One relates the conditional scalar dissipation rate to that at a fixed value Zst
by

With

121

n-Heptane Air Ignition

The initial air temperature is 1100 K and the initial fuel temperature is 400 K.

122

Representative-Interactive-Flamelet-Modell (RIF)

123

Example: Diesel engine simulation

VW 1,9 l DI-Diesel engine

(Fuel: n-Heptan)
Simulation:

KIVA-Code
RIF-Model
n-Heptan detailed chemistry
Soot and Nox as function of EGR

124

Example: Diesel engine simulation

RIF-Temperature

2700
2400
2100
1800
1500

T [K]

1200
900
600
300
20
0.0

10

0.2
0.4
0.6
Mischungsbruch

Kurbelwinkel [nOT]

0
-10

0.8
1.0

300

125

600

900

1200 1500 1800 2100 2400 2700

Temperatur [K]

Example: Diesel engine simulation

Mischungsbruchverteilung

Schadstoffbildung

126

Example: Diesel engine simulation

Comparison with Magnussen-/
Hiroyasu-Model

127

Steady Laminar Flamelet Model

Assumption that flame structure is in steady state

Assumption often good, except slow chemical and physical processes, such as
Pollutant formation
Radiation
Extinction/re-ignition

Model formulation
Solve steady flamelet equations with varying cst
Tabulate in terms of cst or progress variable C, e.g. C = YCO2 + YHO2 + YCO + YH2
Presumed PDF, typically beta function for Z, delta function for dissipation rate or
reaction progress parameter

128

Example: LES of a Bluff-Body Stabilized Flame

Bluff-body stablized methane/air flame

Fuel issues through center of bluff body
Flame stabilization by complex recirculating flow
RANS models where unsuccessful in predicting
experimental data

Here, LES using simple steady flamelet model

New recursive filter refinement method
Accurate models for scalar variance and scalar
dissipation rate

Exp. by Masri et al.

129

Example: LES of a Bluff-Body Stabilized Flame

130

Example: LES of a Bluff-Body Stabilized Flame

Temperature

131

CO Mass Fraction

Flamelet Model Application to Sandia Jet Flames

Flamelet model application to jet flame with extinction and reignition

Flamelet/progress variable model (Ihme & Pitsch, 2008)
Definition of reaction progress parameter
Based on progress variable C
Defined to be independent of Z

Joint pdf of Z and l

Z and l independent
Beta function for Z
Statistically most likely distribution for l

Exp. by Barlow et al.

132

Flamelet Model Application to Sandia Jet Flames

Flame D:
Temperature

133

Flame E:
Temperature

Flamelet Model Application to Sandia Jet Flames

Flame D
Flame E

Flame E
Flame D
134

Summary
Part II: Turbulent Combustion

Moment Methods for reactive scalars

Simple Models in Fluent: EBU,EDM, FRCM,
EDM/FRCM

Turbulence

Introduction in Statistical Methods: PDF,

CDF,

Turbulent Premixed Combustion

Transported PDF Model

Turbulent Non-Premixed

Modeling Turbulent Premixed Combustion

Combustion

Modeling Turbulent Combustion

Applications

BML-Model

Level Set Approach/G-equation

Modeling Turbulent Non-Premixed
Combustion
Conserved Scalar Based Models for
Non-Premixed Turbulent Combustion
Flamelet-Model

135

Application: RIF, steady flamelet model