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T. Poinsot

poinsot@imft.fr

understand the following courses

for premixed and diffusion flames

a mixture of perfect gases containing N

species indexed with k=1 to N:

Ch. 1

2

STOECHIOMETRY AND Ch. 1

EQUIVALENCE RATIO:

Stoechiometric ratio

Equivalence ratio

4

FUEL / AIR COMBUSTION COMPOSITION

AT EQUIVALENCE RATIO φ

air ! This will be useful for theory: a combustible mixture will essentially

have the same properties (density, viscosity, conductivity) as pure air.

In a combustion code:

In a non reacting compressible flow (aerodynamics), we

have 5 variables:

3 velocities

pressure or temperature or enthalpy or entropy

density

In combustion, we have 5 + (N-1) unknown 3D fields to

determine:

3 velocities

pressure or temperature or enthalpy or entropy

N species -> actually N-1 since their sum is unity

density

Momentum (3)

Energy, or enthalpy or entropy or temperature

Continuity for each species (or for N-1 species + total mass)

6

Continuity equations (N):

for k = 1 to N

So that we need:

=0

Diffusion velocities: careful...

(Williams 1985 or Ern and Giovangigli 1994)

The Vk’s are obtained by solving this system:

each point at each instant... but almost no one does it.

We use simplified forms

Vk = −Dk ∇Y

Yk

k Vk = −Dk ∇X

Xk

k

8

What are the Dk’s?

Not the binary diffusion coefficients Dij of kinetic gas theory

Obtained by:

Dk’s vary significantly but their ratios to thermal diffusivity

Dth vary much less. They are measured by the Lewis number

of each species:

of a species. They depend on the mixture

10

stoechiometric CH4/air premixed flame

The need for correction velocities if

Lewis numbers are different:

The Dk’s are not equal if Lek differ

∇Xk

Vk = −Dk

Xk

Summing the species equations with Fick’s law:

� N

�

∂ρ ∂ρui ∂ � Wk ∂Xk

+ = ρ Dk

∂t ∂xi ∂xi W ∂xi

k=1

which is not zero if all Lewis numbers are not equal.

11

Replace:

By:

12

� N

�

∂ρ ∂ρui ∂ � Wk ∂Xk

+ = ρ Dk − ρVic

∂t ∂xi ∂xi W ∂xi

k=1

Vc can be chosen to ensure mass conservation:

for diffusion velocities with non-equal Lewis numbers.

13

Momentum equations (3)

- density here has very strong gradients

- viscosity changes rapidly with temperature

14

Last but not least: energy Ch. 1, Sec. 1.1.5

temperature

forms...

confusion

15

Full summary in PV2011 Chapter 1

Energy: 4 forms.

Ch. 1, Sec. 1.1.5

Enthalpy: 4 forms + one (T)

16

composition (the Yk’s)

7 Cm

pk /R CO2

Scaled molar heat capacity

6

H2O

CO

5

4

Ideal diatomic gas

H2

3.5 N2

Perfect

500 1000 1500 2000 2500

gas limit Temperature (K)

18

Pick up the right one...

rates of species

(one for each species)

N

�

ω̇T = − ω̇k ∆Hf0k

k=1

20

Many authors also like to work with the

temperature equation.

If pressure is constant:

21

the literature but NOT equal

� �

∂ρE ∂ ∂ ∂T ∂

+ (ρui E) = ω̇T + λ + ∂x (σij ui )

∂t ∂xi ∂xi ∂xi j

�N

ω̇T = − ω̇k ∆Hf0k

k=1

N

� N

� N

�

ω̇T� = − hk ω̇k = − hsk ω̇k − ∆Hf0k ω̇k

22

k=1 k=1 k=1

N

� N

� N

� N

�

ω̇T� =− hk ω̇k = − hsk ω̇k − ∆Hf0k ω̇k =− hsk ω̇k + ω̇T

k=1 k=1 k=1 k=1

� �

hsk = Cpk dT = Cp dT = hk

so that ΣN

k=1 h sk ω̇ k = h k Σ N

k=1 ω̇k = 0

ω̇T = ω̇T�

23

N

� N

�

Cp,k Yk Vk,i = Cp Yk Vk,i = 0

k=1 k=1

becomes:

24

SUMMARY:

We have the basic equations

We can solve them numerically for real flames

Before we do that, we anticipate that we are going to

have difficulties with:

Kinetics

Turbulence

Very large domains

We are going to need models. Better: we are going to

need understanding...otherwise the work is impossible

To do this we need to study a few academic (canonical)

cases even if it means simplifying things a little bit.

25

understand the basic flame features:

26

PREMIXED LAMINAR FLAME Ch. 2

previous equations is possible

This is the case for the premixed laminar flame

27

the reference frame of the flame

Ch. 2, Sec 2.3

This equation can be solved for a large number of species numerically

(CHEMKIN, COSILAB, CANTERA, FLAME MASTER)

28

But doing so does not tell us much. Let us keep simplifying

29

fractions, we can track one only: Yf. We assume that Yo=ct

All Lewis numbers equal to unity

combustion experts (Williams, Linan, Matalon)

30

Ch 2 used in Ch. 4, 5, 6

Simplest solutions

directly linked if properly scaled:

Then: θ+Y =1

We are left with only one variable to solve for: the

reduced temperature (also called the progress variable)

31

premixed flames:

ω̇T

field. Not the topic of present lectures.

32

In this simplified world, a flame is:

dominated by a strongly non linear reaction rate:

ω̇T

33

reaction zone

ω̇T Preheating

Reaction

34

has a thickness given by

1

λ1 Dth Heat diffusivity in the fresh gas

δ= =

ρ1 C p s L sL

or

δsL

1 =1

Dth

The Reynolds number of the flame is unity:

δs0L

Reflame = =1

35

ν

reaction rate and molecular diffusion:

You can find the results in TNC 2011 and the derivations in

asymptotic papers but let us focus on an important result:

36

In all premixed flame speed expressions:

speed by two

reaction

37

Flame propagation :

T(to)

T(t1)

DIFFUSION

T(t1)

COMBUSTION

38

A useful feature of premixed flames:

the diffusivity by F. You will get the same flame speed.

But the thickness will be larger by a factor F:

1

1

Dth FDth

δ= δ=

sL sL

39

flame (O’Rourke and Bracco JCP 1979+ CERFACS 90s)

1

" "Yk Ta Dth

d / dt( !Yk ) = ( !D ) + A!Y 1Y 2...Yn exp(# ) δ=

"xi "xi T sL

1

" "Yk A Ta FD th

d / dt( !Yk ) = ( !DF ) + !Y 1Y 2... Yn exp(# ) δ=

"xi "xi F T sL

40

In a numerical world where we fight with

resolution... this can help !

2000

Non thickened

Thickened 20 times

1500

Temperature

Temperature!

1000

500

-3

0 10 20 30 40 50x10

Abscissa

CH4/air. F=20

41

when the flame is thick...

1000

800

Non thickened

Thickened 20 times

Reaction rate

600

200

0

-3

0 10 20 30 40 50x10

Abscissa

42

DIFFUSION FLAME

Ch. 3

STRUCTURE

The other case where theory can be developed and is heavily used.

Most approaches rely on passive scalars and on the mixture fraction z.

43

not a chemical species or a temperature)

∂ρZ ∂ρui Z ∂ ∂Z

+ = (ρD )

∂t ∂xi ∂xi ∂xi

44

A USEFUL PROPERTY OF PASSIVE

SCALARS:

IF TWO PASSIVE SCALARS Z1 and Z2 HAVE THE SAME

BOUNDARY CONDITIONS:

IF THEY ARE EQUAL AT t=0, THEY WILL ALWAYS REMAIN EQUAL

IF THEY DIFFER AT t=0, THEY WILL CONVERGE TO THE SAME

VALUE AFTER A FEW CHARACTERISTIC TIMES

45

INTUITIVE DEMO:

∂ρZ ∂ρui Z ∂ ∂Z

+ = (ρD )

∂t ∂xi ∂xi ∂xi

can also be written:

DZ ∂ ∂z

ρ = (ρD )

Dt ∂xi ∂xi

where D/Dt is the total derivative (the variations along the

trajectories)

46

Consider two passive scalars Z1 and Z2.

Along trajectories Z=Z2-Z1 changes only

because of diffusion

DZ ∂ ∂z

ρ = (ρD )

Dt ∂xi ∂xi

with boundary condition: Z=0

If the initial condition is Z=0,

all gradients are zero and Z

will remain 0

If the initial condition is not

Z=0, any non zero fluid

element will go to Z=0 rapidly.

47

WHAT IS MIXTURE FRACTION ?

A PASSIVE SCALAR WHICH GOES FROM 1 IN THE FUEL

TO 0 IN OXIDIZER STREAM

∂ρz ∂ρui z ∂ ∂z

+ = (ρD )

∂t ∂xi ∂xi ∂xi

z=1 z=0

THE OXIDIZER IS EQUAL TO THE MIXTURE FRACTION

48

WHAT DOES IT TAKE TO BE ABLE TO

CONSTRUCT A MIXTURE FRACTION ?

H1: Constant pressure and equal Cp’s Ch. 2 Sec 3.2.1

H2: All Lewis numbers equal to unity

H3: Global single step reaction

49

PURE MIXING

IF WE CAN NORMALIZE THEM TO HAVE THE SAME

BOUNDARY CONDITIONS, THEY ARE EQUAL TO z

50

NORMALIZE THE PASSIVE SCALARS:

/YF0

/Y00

/(TF0 − TO0 )

51

FUEL OXI

Z1 = YF /YF0

1 0

Z1

Z2 = 1 − YO /YO0 Z2 1 0

1 0

Z3 = (T − TO0 )/(TF0 − TO0 ) Z3

AND SAME BC: THEY ARE EQUAL. WE CALL THEM THE

MIXTURE FRACTION z Z1 = Z2 = Z3 = z

52

THE MIXING LINES

(NO COMBUSTION)

53

INTERPRETATION OF z: A MASS

WEIGHTED MEASUREMENT OF MIXING

z=1 z=0

• mass coming from stream 1 = m1

• mass of fuel = m1 YF0

• mass coming from stream 2 = m2

• total mass= m1+m2

• fuel mass fraction YF= m1 YF0/ (m1+m2)

• mixture fraction z = YF/YF0 = m1/(m1+m2)

54

INTERPRETATION OF z:

z=1 z=0

at this point, in 1 kg of mixture:

• z kg come from stream 1

• (1-z) kg come from stream 2

Careful: this works only if all Lewis numbers are equal

55

and normalizing to have the same boundary conditions

leads to three passive scalars with identical bcs: they

are all equal to the mixture fraction

56

z

The mixture fraction z:

- s is the stoichiometric ratio

- YF0 and YF0 are the fuel and oxidizer inlet mass fractions in

stream 1 and 2 respectively

- Q is the heat of reaction per unit mass

57

z: it does not change in a reacting zone

sYF1 − YO1 + YO0

State 1: YF1 , YO1 z1 =

sYF0 + YO0

State 2: YF1 − ∆YF1 , YO1 − s∆YF1

z2 = 0 0 = z1

sYF + YO

58

How can we use the mixture fraction z ?:

we cannot obtain T, YF and YO : in the above expressions, we have

relations for couples of variables but not for individual variables.

fast assumption

59

Suppose that kinetics are faster than all flow processes:

fuel and oxidizer cannot co exist. There will be a ‘fuel’

side (YF =0) and an oxidizer side (YO =0)

fuel side:

60

The z diagram

with infinitely

fast chemistry

and unity

Lewis numbers

EQUILIBRIUM LINES +

MIXING LINES (NO

COMBUSTION)

61

of growing complexity Ch. 3, Sect 3.5

Strained flamelet

62

Reversible single step Flamelet strained assumption

OK we have T, Yk = f(z). So what ?

of time and spatial positions. Does z help us ?

simplification as described now:

63

Instead of solving:

Z diagram structure:

T(z)

Only solve the z equation:

� � YF(z)

∂ρz ∂ ∂ ∂z Yo(z)

+ (ρui z) = ρD

∂t ∂xi ∂xi ∂xi

diagram. We ll use this in

64

turbulent flames

Think of the z diagram as trajectories:

MIXING PHASE: First you mix and reach

a given z...

65

burn. And you stop burning when you

reach the equilibrium lines

66

Possible states: cant be outside the

triangle limited by equilibrium and

mixing lines

POSSIBLE STATES

67

ratio

φ = sYF /YO

SinceYF and YO change because of combustion, the above

expression cannot be used to know the local equivalence ratio

except in the unburnt gases

flow, if you know z, you can find the local equivalence ratio

sYF0 z

φ= 0 ONLY IF LEWIS =1

68

YO (1 − z)

Example: Ch. 2 Sec 3.2.5

local equivalence ratio does change from the fresh gas

equivalence ratio to 0 in the burnt gas (for lean flames)

φ = sYF /YO

Since z does not change through the flame front, we can

compute the equivalence ratio of the mixture before

combustion (on the mixing line) with:

φ= 0 or φ= 0

YO (1 − z) YO s(YF0 − YF ) + YO

69

Cosilab or Chemkin

chosen equivalence ratio φ1

Compute z =(sYF-Yo+Yo0)/(sYF0+Yo0)

Plot z versus x: it will be constant

sYF0 z

Compute the equivalence ratio from z: φ =

YO0 (1 − z)

And check it is equal to φ1

70

Will also work in 3D to know the local equivalence ratio in a code

(useful for diffusion, partially premixed or spray flames):

BEFORE COMBUSTION. EASY. What is the

equivalence ratio of the gases in the fresh gas ?

φ = sYF /YO

AFTER COMBUSTION: cant use the same formula. Compute z then get

the equivalence ratio:

sYF0 z

φ= 0

71

YO (1 − z)

structures in two parts (z diagram and mixing problem) is

common in many codes, even for turbulent diffusion flames

on z ? let us come back to the assumptions required to

define a mixture fraction z.

72

Equal Lewis numbers ??

Never happens. Lewis numbers are not equal and not equal to

unity. Lewis numbers measured in a 1D premixed flame

73

z (based on elements, or on combination of elements).

The mixture fraction defined using a single step global

reaction is of course limited. For H2+1/2O2 -> H2O,

define a mixture fraction z1:

since in the real world, we have more than one reaction

Solution: work on elements (C, H or O) because elements

are always conserved. Generalized mixture fractions

74

Other mixture fractions:

For example in the TNF workshop, Bilger’s definition is:

zB=

75

and H) in a piloted diffusion flame vs Bilger’s z:

76

Alternative definitions for z ?

fraction’ because nothing (species or elements) diffuses

at the same speed in a multispecies gas.

multiple definitions of z lead to z’s which are not equal...

77

many authors use unity Lewis number assumptions. Why ?

turbulence leads to turbulent transport which dominates

transport and is the same for all species, thereby justifying

the equal Lewis number assumption

78

Stretch and scalar dissipation

assumptions which are too simple. In practice, at least one

additional notion is required for turbulent flames: stretch

Stretch applies to any flame (premixed or diffusion) and

measures the rate at which the flame area increases:

1 dA

κ=

A dt

Intuition tells us that ‘stretching’ a flame must have a limit.

The flame is affected by stretch (see Williams book or Pr

Matalon’s course).

This effect is different for premixed and diffusion flames

79

Strain in the tangent Strain due to flame

plane to the flame propagation

Displacement Front

speed curvature

Ch. 2.6

S. M. Candel and T. Poinsot. Flame stretch and the balance equation for the

flame surface area. Combust. Sci. Tech., 70:1-15, 1990.

80

Examples of stretched premixed flames

81

Evaluations of stretch:

U1 + U2

κ=

d

This is an average value: stretch is not constant along the

flame normal

Defining flame stretch at the flame location is difficult

82

Flame location in a stagnation point flow:

Flame thickness

83

A = 4πr2

Knowing r(t) gives directly stretch

Stretch changes like 1/r: very large at initial times

84

Variations of flame speeds with stretch

Theory can be used to derive the variations of speeds:

But the dependence of premixed flame speeds on stretch

is not very strong, compared to diffusion flames

85

on the Lewis number of the deficient

reactant AND on heat losses:

ADIABATIC Lewis=1

86

ADIABATIC Lewis < 1

87

In diffusion flames, flame strain is often replaced by a more useful

quantity called ‘scalar dissipation’:

Why ?

- Scalar dissipation does not depend on the flame orientation (as flame

stretch does).

- For simple cases (stretched diffusion flame), stretch and scalar

dissipation are directly linked.

Ch. 3.2.2

88

The diffusion flame with infinitely

fast chemistry:

φ=s 0

YO

Scalar dissipation on

the flame front

89 We can work with stretch OR with scalar dissipation

90

Diffusion flames are VERY sensitive

to stretch (or scalar dissipation)

Ch. 3.4.2

stretched diffusion flame

must blow on fires...: we just bring them more air

If you stretch it too much, you can quench it: we also know that you

should not blow too much on a candle, otherwise you kill it...

91

consumption

92

Implications for turbulent flames:

induce strain and therefore stretch:

plane to the flame propagation

93

In turbulent flames:

(created by an ensemble of vortices) and the flame

stretch:

94

Are all flames premixed or non-premixed ?

mentioned:

triple flames

partially premixed flames

95

IGNITED FROM NON IGNITED DIFFUSION LAYERS

COMBUSTION

MIXING

In
any
ﬂame
where
you
inject
pure
fuel
and
pure
oxidizer,
you
can
be

either
on
the
mixing
line
or
on
the
combusFon
line.
How
do
you
go
from

one
to
the
other
?
(in
other
words:
how
do
you
ignite
a
diﬀusion
ﬂame
96?)

TRIPLE FLAMES: THE STRUCTURE WHICH SEPARATES

IGNITED FROM NON IGNITED DIFFUSION LAYERS

Fuel

T T

Oxidizer

Kioni ﬂame

Premixing zone Diffusion flame

Rich premixed flame

Fuel

Oxidizer

Lean premixed flame

97

Inﬁnitely

Mixing
lines fast
chemistry

Fuel

Oxidizer

Lean premixed flame

98

1/ TRIPLE FLAMES PROPAGATE.

2/ THEY PROPAGATE FASTER THAN PREMIXED FLAMES

�

ρ1

sT riple = s0L

ρ2

laminar ﬂame speed 99

Almost noone uses perfectly premixed flames: too dangerous

And almost noone uses pure diffusion flames: not efficient

Most flames will be produced in devices where we TRY to mix

at the last moment to reach premixed conditions but never

really make it.... Partially premixed flames

1.0

0.6

0.4

0.2

0.0

0.0 0.4 0.8 1.2

100 Equivalence ratio

Example: the PRECCINSTA burner (DLR)

101

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