Simulación Numérica de Flujos Reactivos

An introduction to the numerical simulation of reacting flows
Pascal BRUEL
LABORATOIRE DE MATHMATIQUES APPLIQUES
UMR 5142 CNRS-UPPA Pau France.
Pascal.Bruel@univ-pau.fr

Pascal Bruel Laboratoire de Mathmatiques et de leurs Applications CNRS - Pau University France
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Main objectives
Understanding where do the zero Mach number NavierStokes (NS) equations come from.
Understanding the basic structure of an isobaric planar
premixed laminar flame.
Being able to construct and understand a diagram of
turbulent premixed combustion.
Understanding a simple model of turbulent premixed
combustion.
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Main objectives (continued)
Understanding a numerical method specifically

developed to deal with zero Mach number reacting flows.
Miscellaneous:
1.
Other jet engine related situations for which the zero
Mach NS equations cannot be used: the accidental boring
of a combustion chamber.
2. On the need of experimental data to compare with:
presentation of an experiment dedicated to the test of
numerical simulations.
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INTRODUCTION
Why it is important to improve the predictive

capabilities of numerical simulations of
reacting flows: an example for jet propulsion.

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PROPULSION DEVICES: challenges
FOR MORE ENVIRONMENTALLY

FRIENDLY AIRCRAFT'S
CLEANER ENGINES ARE

NEEDED
AIRBUS A380
CFM56-5B

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PROPULSION DEVICES: challenges

CLEANER ENGINES: how ?
Fuel replacement : may be in the long term !
With fossil fuels: Better efficiency and new combustor
design.
EXAMPLES OF NEW TECHNOLOGIES ALREADY IN OPERATION
DOUBLE ANNULAR COMBUSTOR (DAC) PROPOSED BY CFM
INTERNATIONAL SINCE 1995 (CFM56-5B for A320 and CFM56-7B for
B737): reduction of 40 % of Nox (Responsible in particular of the
production of ozone through a photolytic reaction ).

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Examples of ICAO engine exhaust emission for the clean engines

of today (source: www.qinetiq.com/aviation_emission_databank/index.asp)

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CLEANER ENGINES: what is under development ?
Improvement of the injection system (Twin-annular

Pre-Swirl by CFMI) to optimize the premixing air-fuel
in any situation in order to control the combustion
regime. Basically, one tries to burn in a lean premixed
prevaporised regime.
LPP concepts
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CLEANER ENGINES: what is under development ?
LPP concepts: problems

Mixing hot air + fuel can not be perfect because of risk of
auto-ignition: there still exists inhomogeneities of equivalence
ratio.
Combustion instabilities are more likely to occur.
Where do they come from ?

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A source of coherent motion: the thermo-acoustic instability

( Reference: G. Searby, Ecole de combustion 2002, La Londe les Maures, France)
Consider a combustion chamber of volume V. By combining the

various governing equations (continuity, momentum, energy and
equation of state) and by using a linear development around a mean
state (index 0), it is then possible to obtain the following equation:
2 p'
t 2
q&' p0 n&
c p' = ( 1)
+
t
n t
2
p' = p p0
q&' = q& q& 0
heat release fluctuation
mole number
n& =
& i
W
i
pressure fluctuation
Cp
Cv
mole production
i
2
;c =
p0
; q& =
h &
i

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If we can neglect the second term in the right hand side (diluted
reactants for instance) then the equation reads as:
2 p'
t 2
q&'
c p' = ( 1)
t
2
Using the linearised momentum equation, the above equation

can be rewritten as:
2
p'
t 2
u'
q&'
0c .
= ( 1)
t
t
2

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Integrating once, multiplying by

and adding the linearised momentum equation multiplied by u
yields:
1
( 1)
1 p'2
2
(
p' q&'
+ 0 u' ) + .( p' u' ) =
2
2
2
t 2 0 c
0c
The first term represents the time derivative of the

acoustic energy E, the second is its flux divergence and
the third one is a source term.

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Integrating over the chamber volume V delimited by the surface A

and over one acoustic period T:
d
dt
E + F .n =
A
( 1)
0c
p' q&'
If the flux through A is zero, one recovers the wellknown Rayleigh criterion: depending on the sign of the
integral of the RHS, the energy can be amplified. If there
exists a relation between the pressure fluctuation and the
heat release fluctuations one may have an unstable
system.
system
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Understanding some aspects of the asymptotic

behavior of the Navier-Stokes (NS) equations: where
do the zero Mach number NS equations come from ?

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Zero Mach number N-S equations

In many systems of practical interest, the pressure is said to be
thermodynamically constant e.g. the density variations are then
univoquely linked to the temperature variations, namely:
T = cst
Example: Imagine a system in which a plane reacting wave
propagates at speed Vf with respect to a reactants medium and
which converts them into products
Vf
Products
Temperature Tp
Reactants R
Temperature Tr

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The pressure change through the wave can be evaluated from

the momentum equation (neglecting the diffusive terms) by:
p r V f2
r V f2
p
an d so
=M
pr
pr
2
r
where Mr is the Mach number defined by: M r =
Vf
ar
a n d a r is th e so u n d s p e e d in th e re a c ta n ts: a r
As a consequence, the equation of state leads to:
In the case Vf<< ar (deflagration)
T cst
R
=
Tr
W
W
p r (1 + O ( M
T =
R
2
r
Is it possible to derive this more analytically ?

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))

There exists a more formal way to deal with this kind of
flow, based on the regular pertubation of the Navier-Stokes
equations. We shall address that in the way proposed by
Mller (Mller, B., Low Mach number asymptotics of the
Navier-Stokes equations and numerical implications, von
Karman Institute for Fluid Dynamics, Lecture Series 199903, March 1999).
Beforehands, it is necessary to introduce the notion of the
asymptotic development of a function (taken from Joulin,
G., Mthodes asymptotiques, Ecole de Combustion,
Collonges, France, May 1994).
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C o n sid er th e real fu n ctio n f ( x ; ) = f ( x ) o f real variab le x

p aram eterized b y .
G iven a series o f N + 1 fu n ctio n s (n ) ( ) su ch th at:
(0 ) ( )
(1 ) ( )
o r eq u ivalen tly: lim
......
(i+ 1 )
(i)
(N ) ( )
= 0 (o r
w h en 0
(i+ 1 ) = o ( (i) ), L an d au n o tatio n )
If th ere ex ists a series o f fu n ctio n s f (0) ( x ),......... f ( N ) ( x ) su ch th at:

N (i)
( ) f ( i ) ( x ) = o ( (N ) ( )), w h en 0
f ( x; )
i=0
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N (i)
Then, ( ) f (i) ( x) is said to be an asymptotic development of f ( x; )
i =0
at order (N) ( ) and for 0.
Note that
f (0) ( x) = lim f ( x; ) / (0) ( )

0
f (1) ( x) = lim ( f ( x; ) f (0) ( x) (0) ( ))/ (1) ( ),.........
0

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(i)
For a given series , the AD of f ( x; ) does not

necessarily exists, so all the difficulty is to guess at
(i)
the form of the !

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Exercise 1: Consider the following series
(0) ( ) = log( )
(1) ( ) = 1
(2) ( ) =
we have log( ) >> 1 >> when 0
determine f (0) ( x), f (1) ( x) and f (2) ( x) such that
i=2
(i)
( ) f
(i )
( x) is an asymptotic expansion of log(1+ )
i =0

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Regular and singular perturbations

Consider two "problems" P(y,x, ) and P(y,x,0)
and their related solutions y(x, ) and y(x,0). If

there exists an asymptotic expansion of y(x, )
of the form y(x,0) + o(1) when 0, valid for all x, then y(x, ) y(x,0)
is said to be a regular perturbation of y(x,0) when 0.
Sometimes it is said that P(y,x, ) is a regular perturbation
of P(y,x,0).
A perturbation which is not regular is said to be singular, for
instance, when there is no single asymptotics expansions valid for
the entire domain of x.
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Example of regular perturbation: the low Mach number

asymptotic analysis of the Navier-Sokes equations. They read
(perfect gas, no buoyancy forces, no chemical reactions):
+ .( u) = 0
t
u
+ .( u u) = p + .
t
E
+ .( uH ) = .( .u) + .(T ) + q
t
p
1 2
1 2
E = e + u = cvT + u ; H = E +
2
2
p = RT
T 2
with (newtonian fluid) : = ( u ) + ( u ) ( .u ) I
3
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In dimensionless form (Mller, 1999):

*
+ .( * u* ) = 0
t *
* u*
t *
+ .( * u* u* ) =
1 * 1 *
p +
.
2
Re
M
* E *
1
M 2 *
* * *
+ .( u H ) =
.( .u ) +
.( * T * ) + * q*
t
1 Pr Re
Re
with :
* = / ref ; p* = p / pref ; u* = u / uref ; * = / ref ; * = / ref ; = Lref

t * = t /( Lref / uref ); E * = E /( pref / ref ); e* = e /( pref / ref ); H * = H /( pref / ref )
uref pref
1 2 * 2 *
p* *
*
* *
*
*
*
E = e + M u ; H = E + * ; p = T ; T = ( 1) e ; Q = Q /(
)
2
Lref ref
Re =
ref uref Lref

ref
; Pr =
ref c p
ref
; M =
uref
pref / ref
= M ref

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From now on, we shall drop the superscript * for denoting the dimensionless
variables and it is assumed that the low Mach number asymptotic analysis
can be considered as a regular perturbation.
So each independent variables is expanded in terms of a series (i) (M )

where M is the small parameter, for instance:
p ( x , t ; M ) = (0) ( M ) p (0) ( x, t ) + (1) ( M ) p (1) ( x, t ) + (2) ( M ) p (2) ( x, t ) + ......
u ( x , t ; M ) = (0) ( M )u (0) ( x, t ) + (1) ( M )u (1) ( x, t ) + (2) ( M )u (2) ( x, t ) + .....
( x , t ; M ) = (0) ( M ) (0) ( x, t ) + (1) ( M ) (1) ( x, t ) + (2) ( M ) (2) ( x, t ) + ......

the scaling functions are chosen such that:
(i ) ( M ) = M i
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Exercise 2: if one retains an AD with three terms in M

0 = 1, M
1and M
2 , show that:
namely, M
( u )(0) = (0) u(0)
( u )(1) = (0) u(1) + (1) u(0)
( u )(2) = (0) u(2) + (1) u(1) + (2) u(0)
T (0) =
p (0)
(0)
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If one proceeds similarly for the governing equations.

The continuity equation yields:
(0) (0)
+ .( u ) = 0
t
(1)
(1) (1)
+ .( u ) = 0
t
(2)
+ .( (2) u(2) ) = 0
t
(0)

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Exercise 3: Show that the expansion of the

momentum equation yields:
p (0) ( x, t ) = 0 e.g. p (0) ( x, t ) = p (0) (t )
p ( x, t ) = 0 e.g. p ( x, t ) = p (t )
(1)
u
t
(0)
(1)
(0)
+ .( u
(0)
(0)
(1)
u ) = p
(0)
) (
(2)
with: (0) = (0) u(0) + u(0)
1
+
. (0)
Re
T
2 .u(0) I
3

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For the energy equation, we have:

( E )(0)
1
(0)
+ .( uH ) =
.(T )(0) + (0) q (0)
t
1 Pr Re
( E )(1)
1
(1)
+ .( uH ) =
.(T )(1) + (1) q (1)
t
1 Pr Re
( E )(2)
1
1
+ .( uH )(2) =
.( (0) .u(0) ) +
.(T )(2) + (2) q (2)
t
1 Pr Re
Re
the following relations also hold:
( uH )(0) = ( H )(0) u(0) with ( H )(0) =
( uH )
(1)
= ( H ) u + ( H ) u
(0)
(1)
(1)
(0)
p (0)
with ( H )
(1)
p (1)

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Thus, at orders 0 and 1, the energy equations read:

dp (0)
1
(0)
(0)
.(T )(0) + ( 1) (0) q (0)
+ p .u =
dt
Pr Re
dp (1)
1
(0)
(1)
(1)
(0)
+ p .u + p .u =
.(T )(1) + ( 1) (1) q (1)
dt
Pr Re
by employing the continuity equation and the state equation at order 0,
the energy equation at order 0 can be expressed as:
(0)
(0)
T
dp
1
(0)
(0)
(0)

+ u ..T
=
.(T )(0) + (0) q (0)
1
1 Pr Re
dt
t

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Thus, the system of zeroth-order Navier-Stokes equations reads as follows:

(0)
+ .( (0) u(0) ) = 0
t
(0) u(0)
1
+ .( (0) u(0) u(0) ) = p (2) +
. (0)
t
Re
(0)
dp (0)
1
(0) T
(0)
(0)
+ u ..T
=
.(T )(0) + (0) q (0)

dt
Pr Re
1
t
(0) ( x, t )T (0) ( x, t ) = p (0) (t )

Since the second order pressure p (2) is decoupled from the density
and temperature fluctuations, acoustic waves are absent from the
flow described by such a system. It is such a system that we shall
consider in the following unless stated explicitly otherwise.
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Asymptotics of the N-S equations
But if one is interested in the acoustics for slow flows two-timescale

development. One time scale (fast) is related to acoustics while the second
(slow) is, as before, related to the reference convective time scale, ie:
Reference flow time scale: tref = ( Lref / uref )
Reference acoustic time scale: ref = Lref /(
pref
ref
The dimensionless acoustic time scale is defined by * = t / ref = t * / M

where t * is the dimensionless flow time scale used previously.

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The asymptotic expansion of the NS equations in terms of the Mach number

is carried out by considering a single space scale and the two time scales
defined above, for instance for the pressure (dropping the * as before):
p ( x , t ; M ) = p (0) ( x, t , ) + M p (1) ( x, t , ) + M 2 p (2) ( x, t , ) + .....
The time derivative at constant x and M yields:
x , M
+
t M

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If one proceeds similarly as before, the zeroth, first and second order equations yields:
Continuity
(0)
= 0 (0) = (0) ( x , t )
(1) (0)
+
+ .( u)(0) = 0
t
(2) (1)
+
+ .( u)(1) = 0
t
Momentum
p (0) = 0 p (0) = p ( 0) ( x , t )
(0)
( u )(0)
u
1
= p (1)
= (0) p (1)
( u )(1) ( u )(0)
1
+
+ .( u u)(0) = p (2) +
. (0)
t
Re
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Energy equation
( E )(0)
=0
( E )(1) ( E )(0)
1
(0)
+ .( uH ) =
.(T )(0) + ( q )(0)
+
1 Pr Re
( E )(2) ( E )(1)
1
(1)
+
+ .( uH ) =
.(T )(1) + ( q )(1)
1 Pr Re
t
State equations
(0) (t , x)T (0) (t , x) = p (0) (t )
p (0) (t ) = ( 1)( E )(0) (t )
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The first order energy equation can be also expressed as:

(0)
p (1)
1
dp
+ p (0) .(u)(0) =
.(T )(0) + ( 1)( q )(0)
dt
Pr Re
Deriving the above equation with respect to and substracting p (0) times
the divergence of the first order momentum equation yields:

p (0) (t )
2 p (1)
( q )(0)
(0)2
(1) (0)
(0)2
.(c p ) = ( 1)
with c = (0)
2
( x, t )
This is a wave equation and its source is to the change over acoustic time of
the leading order heat release rate. If one approximates c (0) by the
ambient speed of sound taken as reference one recoves the equation
presented in the introduction !

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Understanding the basic structure of an isobaric planar

premixed laminar flame.

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Premixed laminar flame: chemical kinetics
Some (rapid) reminders

To have chemical reactions, molecules have to collide.
But even if they do collide, there is not necessarily
chemical reactions.
So this the probability of collision times the probabibility
of success of the collision which controls the rate of
production of species (Svante Arrhenius, Nobel Prize,
1903).
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1
, molecule mean free path ie mean distance covered by a molecule
2 n
between two successive collisions.
lc =
with : = d 2 effective collision cross section (d is the "diameter" of a molecule) and n the average
number of molecules per unit volume (typically lc 107 m)
8k 0T
vT =
, average thermal velocity, with m mass of the individual molecule and k 0
m
Boltzmann constant ( 1,3806 10-23 J.K -1 ). But k 0N = R where N is the
Avogadro number ( 6,022 1023 ) and R perfect gas constant ( 8,314472 J/ mole/K), so
8 RT
M
Note: the ratio between the thermal velocity and the sound speed is of order one:
vT =
RT
c
=
vT
M = 8
8 RT
M
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It is then possible to define an average collision time ie the average time between two successive collisions by:
tc =
lc
(typically
vT
10-9 s )
Notes:
These average quantities results from the statistical analysis of the behavior of a large
number of molecules (Maxwell-Boltzmann statistics).
When establishing the (macroscopic) governing equations describing a fluid evolution
(Navier-Sokes equations), the fluid is supposed to be continuous and the scales L and t
of space and time variations that these equations can "capture" is such that:
L lc and t tc .

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Considering now a chemical system involving N species reacting according to
M elementary reactions:
j=N
j=N
'
"
j
j
v
A
v
A
j ,r
j ,r , r = 1, M
j =1
(1)
j =1
For each species A j , the following relation holds:

r =M
dC A j
= WA j = WA j , r o
M Aj
dt
r =1
M A j : molecular mass of species A j [kg/mole]
C A j : molar concentration of species A j [mole/m3 ]
WA j , r : mass production of species A j due to reaction r [kg/m3 /s]
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For each elementary reaction, the changes of concentration of the involved
species are related one to each other. Indeed, consider two species Ak and Al ,
their changes of concentration are such that:
C Ak
C Al
C A
C A
k" , r k' , r
= "
"
= "
= r
'
'
'
l ,r l ,r
k ,r k ,r l ,r l ,r
k
and in mass : WAj , r = M Aj ( "j , r 'j , r )r
r is given by:
direct
r = K r
j=N
C
j =1
direct
where K r
v 'j ,r
Aj
Kr
inverse
et K r
inverse
j=N
C
j =1
v"j ,r
Aj
quantify the "efficiency" of the
collisions and thus are function of the temperature.

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direct
E
For instance: K r = B
(T ) exp
RT
If equilibrium is reached for reaction r :
direct
direct
WA j , r = r = 0
Then:
direct
Kr
inverse
/ Kr
j=N
= C
j =1
v"j ,r v 'j ,r
Aj
= K requil (T )
K requil is the equilibrium constant of the elementary reaction r.

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E direct is called the activation energy of the reaction, not to be confused with the energy released by
the reaction. How can we evaluate the latter ?
Consider an isolated system containing initially reactants at temperature T which
undergo complete chemical reactions and yields products which are brought back to the
initial temperature either by cooling or heating the system. The amount of energy Q required
by this process (heating or cooling) is called the heat of reaction.
The first law of thermodynamic states that:
dQ = dU + PdV = dH VdP where U is the total internal energy,
P the pressure, V the system volume and H = U + PV its enthalpy.
final
If combustion is isobaric, then Q =
dH = H
final
initial
initial
final
If combustion develops at constant volume, then Q =
dU = U
final
initial
initial

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Exercise 4: Consider a one-step irreversible exothermic reaction

irrversible R P at constant pressure, with no heat and mass exchange with
the surrounding environment, suppose that the heat capacities are similar
and do not depend on temperature ie C pR (T ) = C pP (T ) = CP . Calculate the
final temperature of the products as a function of the heat of reaction Q.

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The importance of mixing

To have combustion, one has to bring together reactants and products,
how ?: I put the species ( , ) in a box and I mix:
1- perfectly
2- partially
3- not at all!
Premixed flame
Partially premixed
flame
Diffusion flame

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Premixed laminar flame: the basic planar structure

S
0
l
Perfectly
premixed mixture
for example
air+propane
lf
R 0
Sl
P
products
Hypotheses: planar wave, stationary in the laboratory coordinate system

irreversible reaction R P, large activation energy E / RT 1
Cp , and D constant.
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Governing equations
u = cst = R uR = P u P
dY
d 2Y
u
= D 2 w(T , Y ) (Y is the mass fraction of propane)
dx
dx
dT
d2T
uCp
= 2 + Qw(T , Y )
dx
dx
T = cst
with w(T , Y ) = B(T )Y exp( E / RT ), E / RT
T () = TR ; Y () = YR ; Y (+ ) = 0, T (+ ) = TP
Estimation of the flame thickness and flame speed?
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Corresponding profiles
Yp
Yp
Tp
Tp
T
TR
X (-)
X (+)
l0

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Eliminating w between the energy equation and the species equation yields:
1
2
Q
Y
Y
+
d
C
(T-T
)
(
)
R
R
p
d Cp (T-TR ) + Q (Y YR )
Le
=
u
2
Cp
dx
dx
where the Lewis Le is defined by Le =
/( C p )
D
, ratio of the thermal diffusivity
anf the species diffusion coefficient.

If Le = 1,Cp (T-TR ) + Q (Y YR ) can be cast under the form a + b exp( x uCp / ) but
since T et Y are bounded and because of the boundary conditions in the reactants,
a and b are equal to zero. So, for Le = 1, one obtains
with TP = TR +
T - TR
Y
=1
TP - TR
YP
Q
YR .
Cp

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dT
d2T
uCp
= 2 + QB(T )Y exp( E / RT )
dx
dx
In terms of order of magnitude, one can write that:
uCp
TP TR
0
l
TP TR
0 2
( l )
QB (TP )YR exp( E / RTP )

Sl0
l0
R Sl0C p
RCp
B exp(E / RTP )
The rate of conversion of reactants into products is therefore
R Sl0
given by 0 .
l
Methane+air: For an initial temperature between 150 and 600 K:
Sl0 0.08 +1.6106 TR2.11

51
(Cordoba
08/2007)
Premixed planar laminar flame: detailed structure

Flame
thickness
Temperature T
p
SL0
Reaction rate
Products
Reactants
TR
Preheating zone
Reaction
zone
For the detail of the asymptotic analysis see

Clavin (1985)
52
(Cordoba
08/2007)
Flame stability

53
(Cordoba
08/2007)
Premixed laminar flame:hydrodynamic instability

(Darrieus-Landaus analysis)
Reactants
side
z
S
unp
= uR = S
vunp = v p = 0
unp
= R
Reactants
side
Products
side
0
l
0
l
Sl0
unp
x=0
0
l
u R ( x, z , t ) = u unp + u R ' ( x, z , t )
vR ( x, z , t ) = v unp + vR ' ( x, z , t )
= P
Unpertubed state (unp): Planar flame at xf=0
Pertubated flame
front xf=F(z,t)
Sl0
R
= up =
Sl
P
p unp = pP
p unp = pR
vunp = v p = 0
unp
Products
side
pR ( x, z , t ) = p unp + pr ' ( x, z , t )
Wave length of front

perturbation
uP ( x, z , t ) = u unp + u p ' ( x, z , t )
vP ( x, z , t ) = vunp + v p ' ( x, z , t )
pP ( x, z , t ) = p unp + p p ' ( x, z , t )
x=0
Perturbed state flame front with

a small periodic corrugation >>
flame thickness

54
(Cordoba
08/2007)

Front location : x = F ( t , z ) . F = 0 corresponds to the location of the unperturbed front.

z
T
F
z ,1
t=
2
F
1+
Unit tangent vector to F curve
1,
n=
2
F
1+
Unit normal vector to F curve
x=0

55
(Cordoba
08/2007)

U = (u , v )
Flow velocity vector
F
,0)
Absolute front velocity vector ( projected on the x direction):
t
F
u
v
z
U .n =
Flow velocity component normal to the front
2
F
1+
F
z
t
D = D.n =
Absolute front velocity component normal to the front
D=(
F
1+
U .n D.n =
F F
v
t z
F
1+
Relative flow-front velocity component normal to the front

56
(Cordoba
08/2007)

Hypotheses:
1 The front is considered as a discontinuity
2 The perturbations are of small amplitude and of large
wave length (with respect to the flame thickness)
and F(z,t) = exp(t + ikz ) with 1,
initial amplitude of the perturbation
3 U .n D.n = Sl for any front shape F
4 remains piecewise constant (u or b )
5 Euler equations on both sides of the front ie:
u
1
.(u) = 0 ;
+ .(u u) = p ; T = cst
t

57
(Cordoba
08/2007)

We shall seek solutions of the form :

T
u = (u,v) such that:

u ( x, z , t ) = u
v ( x, z , t ) = v
unp
+ u '( x, z , t )
unp
+ v '( x, z , t )
p ( x, z , t ) = p
unp
+ p '( x, z , t )

58
(Cordoba
08/2007)

By injecting the sought form of solution in the Euler equations

and dropping the quadratic terms, one gets:
1 p '
u'
u '
+ u unp
= unp
t
x
x
v'
1 p '
unp v '
+u
= unp
t
x
z
u ' v '
+
=0
x z
valid on both sides, with matching of the solution at the pertubed flame front.

59
(Cordoba
08/2007)

u'
1 p '
unp u '
+
=
x t
x
unp x
1 2 p ' 2 p '
u ' v ' unp u ' v '
+
sum
+ u x x + z = unp x 2 + z 2
t
x
z
14243
1 p '
v'
unp v '
14243
u
+
=
0
0
y t
x
unp z
Thus, the field of pressure perturbation satisfies a Laplace equation:
2 p ' 2 p '
+ 2 =0
x 2
z
The solution is sought under the form: p ' = A exp(t + ikz ) exp nx
: growth rate of the perturbation in time (unstable if Re( ) > 0)

k (> 0) : wave number of the perturbation along the z axis
n : growth rate of the perturbation in space.
Injecting this in the Laplace equation yields n 2 = k 2 n = k
The damping of the pertubation at infinity in space implies that:
reactants side: x<0 n = + k ; products side:x>0 n = k
60
(Cordoba
08/2007)

u'
k
unp u '
+u
= m unp A exp(t + ikz ) exp( kx)
t
x
v'
ik
unp v '
+u
= unp A exp(t + ikz ) exp( kx)
t
x
Convention: the upper (resp. lower) sign is for the reactants (resp. products) side
Solution to this is obtained by i) solving the homogeneous system and ii) adding a
particular solution
Ak
u'(x,z,t)= B exp( unp x) m unp
exp kx exp(t + ikz )
unp
u
( u k )
iAk
v'(x,z,t)= C exp( unp x) unp
exp kx exp(t + ikz )
unp
u
( u k )

61
(Cordoba
08/2007)

An unstable solution corresponds to Re( )>0. In such a case, the solution has still to satisfy the condition
that there is no perturbation at infinity so the integration constant B and C must be set to zero in the reactants
side ie for x<0. In the products, the continuity equation yields a relation between B and C,
namely: C =
iku unp
B. Thus the solutions of equations can be written as:
Reactants side: u 'R = -
aR k
exp(kx)exp(t + ikz )
R ( + Sl k )
v 'R = -
iaR k
exp(kx) exp(t + ikz )
R ( + Sl k )
p 'R = aR exp(kx)exp(t + ikz )
aP k
x) +
Products side: u 'P = bP exp(
exp( kx) exp(t + ikz ) (with E = R )
P
ESl
P ( ESl k )
bP
aP k
v 'P =
exp(
x) +
exp( kx) exp(t + ikz )
P ( ESl k )
ESl
ikESl
p 'P = aP exp( kx)exp(t + ikz )

62
(Cordoba
08/2007)

Consequently, there are four unknowns which are , aR , aP and bP . To
determine them, one has to use the matching at the front between the gasdynamics
pertubations in the reactants and in the products.
The pertubed flame front is supposed to propagate normally to itself at the same speed
as the plane flame
At the reactants side of the flame front ie for x=0F F
v
t z = cst = S
U .n D.n =
l
2
F
1+
z
F
F
linearization u
Sl u 'R
= F
t
t
u
(1)
F
Doing the same at the products side of the flame front ie for x=0 yields u 'P
= F (2)
t
+

63
(Cordoba
08/2007)

The velocity component tangential to the front must be

similar on both sides of the flame front
F
u
+v
F
z
u.t =
u
+v
2
z
F
1+
Sl ikF + vR ' = ESl ikF + vP ' (3)

Finally, since the flame propagation through the reactants is
constant, so is the pressure drop through the front
pR ' = pP ' (4)
64
(Cordoba
08/2007)

Injecting the solutions into Eqs. (1)-(4) yields an homogeneous system

in , aR , aP and bP . To get a non trivial solution, the determinant of that system
has to be equal to zero. After (long !) calculations yields the following
dispersion relation:
1 2
2
+
+
+
=0
1
2
S
k
(1
E
)(
S
k
)
l
l
there exists two real roots, one negative - and one positive + the front
is (always ) unstable !
1/ 2
2
E E + E 1
+
= kSl ( E ) with ( E ) =
1
E + 1
E

65
(Cordoba
08/2007)

z
F < 0 uR ' < 0
u > Sl
p-
p+
p-
p+
Reactants
Products
u < Sl
u > Sl
p-
p+
u < Sl
p-
p+
x
x=0
F > 0 uR ' > 0

66
(Cordoba
08/2007)

But we know by experience that there exists stable premixed flames !
there exists stabilizing phenomena
Drawback of the Darrieus-Landau model: it is not valid for the short wavelength perturbations.
For these short wavelengths (
l0 ), the diffusional-thermal structure of the flame is affected
and so is the flame propagation velocity in the reactants.
l0
concentration
Reaction zone
l0
Reactants
Products
l0
temperature
Production term
Heat flux
Reactants flux

67
(Cordoba
08/2007)

(Darrieus-Landaus analysis+Marksteins correction)
The front structure is affected by the result of a competition between
the transverse fluxes of heat and species (Lewis number).
Markstein proposed to account for this through a dependency of the
propagation velocity of the curved front to its curvature radius R:
l0
2 F
L
0
0
Sl = S (1 L
) = Sl (1 + ) = Sl (1 + Ma )
R
R
z 2
Ma is called the Markstein number. By carrying out the same kind of analysis as DL,
0
l
one obtains the following expression for :
E E2 + E 1
0
0
0

( E ) =
+ Ma l k ( Ma l k 2 E ) Ma l k 1
E +1
E
1
Using asymptotic analysis in the joint limit (1- ) O(1) and , the expression
Le
of the Markstein number is given by:
Ma =
2E
E +1
+ (1-
E + 1
1 2
2
)
Log
2
Le E + 1 E 1

68
(Cordoba
08/2007)

(Darrieus-Landaus analysis+Marksteins correction)
Curves corresponding to the dispersion relation for the growth rate of the perturbation
Ma = 0
Ma < 0
Ma > 0
'
kmax
0 '
kn
Wave number

69
(Cordoba
08/2007)
17

(Darrieus-Landaus analysis+Marksteins correction+gravity effects)
Rayleigh-Taylor instability comes into play!

Reactants
SL0
Upwards propagation: destabilizing effect
SL0
Products

70
(Cordoba
08/2007)

Reactants
g
SL0
SL0
Downwards propagation: stabilizing effect
Products

71
(Cordoba
08/2007)

By carrying out the same kind of analysis as DL+Markstein, and taking into account
the boyancy effect at the font, one obtains the following expression for :
2
E E2 + E 1
E
1 1
0
0
0

( E ) =
Ma l k 1
+ Ma l k ( Ma l k 2 E )
0
E +1
E
E Fr l k
Sl0
where the Froude number is defined by: Fr =
g l0
g is taken positive (resp. negative) for a downwards (resp. upwards) flame propagation.

72
(Cordoba
08/2007)

Ma > 0
Darrieus-Landau
Fr < 0
| Fr | increases
Darrieus-Landau
Ma > 0
Fr > 0
Markstein
(Fr )
increases
0'
0
0
kn
Markstein
(| Fr | )
Upwards propagation
kn
'
'
kn2
kn1
Zoom
0
'
kn1
Downwards propagation

73
(Cordoba
08/2007)
Diagram of turbulent premixed combustion

74
(Cordoba
08/2007)
Diagram of turbulent premixed combustion: turbulence scales
uA(t)
A|
uB(t)
|
U A (t ) = U A + u A '(t ), U B (t ) = U B + uB '(t ), with u A '(t ) = uB '(t ) = 0

denotes the time (Reynolds) average of . For flow with variable density
one introduces the density weighted (Favre) average =

.
we call ud' , the average of the velocity difference at scale d

ie ud' U A (t ) U B (t )
75
(Cordoba
08/2007)
A one-time two-point correlation coefficient can also be defined as:

r(d ) =
u ' A uB '
( u'A )
( u'B )
if the two signals are perfectly correlated r(d ) = 1 and perfectly uncorrelated r(d ) = 0.
+
The integral length scale can therefore be defined as: =
r(l )dl
0
Thus, u' will designate the average velocity fluctuations at the integral length scale

76
(Cordoba
08/2007)

There exists in a turbulent flow a spectrum of scales d of fluctuation
from the integral length scale to the Kolmogorov length scale at which
fluctuation cannot "survive" because of the viscous dissipation.
Scale at which the kinetic

energy of the velocity
fluctuations is transformed
into heat chaleur
Re =
Ideal energy cascade: transfer without losses
u'2 /( / u' ) u'2 /( / u' )
u'
O(1)
= 3/ 4
Re

77
(Cordoba
08/2007)
Diagram of turbulent premixed combustion: premixed flame scales

Velocity scale: Sl0
l0
time scale f = 0 , transit time through
0
Sl
Space scale: l
the flame front ie. the time required by the flame front to propagate
over a distance equal to its thickness.
The diagram is established by comparing the time scales of turbulence
and the transit time through the premixed flame.
premixed flame one time scale
two dimensionless numbers, the Damkhler
Turbulence two time scales
number Da = and the Karlovitz number Ka =

f

78
(Cordoba
08/2007)
Diagram of turbulent premixed combustion: premixed flame scales

These two numbers are supplemented by the turbulent Reynolds number
u '
Re =
. If Re O (1), we are back to a laminar flow !
Exercise 5: show that the following expression holds:

1
u '
Da = 0 0
Sl l
u '
Ka = 0
Sl
3/ 2
0
l
1/ 2
u '
Re = 0 0
Sl l
u '
and plot the iso-curves of Da, Ka and Re in the plane 0 , 0 and in log-log coordinates
Sl l
79
(Cordoba
08/2007)
Diagram of turbulent premixed combustion:

schematic of flame-vortex interaction
reactants
products
Reaction zone
SL0
reactants
products
SL0
Reaction zone
Preheating zone
Preheating zone
Wrinkled flame, small vortex

reactants
products
reactants
products
SL0
SL0
Preheating zone
Wrinkled flame, larger vortex
Reaction zone
Thickened wrinkled flames
Reaction zone
Preheating
Thickened
zone
flames

80
(Cordoba
08/2007)
Diagram of turbulent premixed combustion
Exercise 6: show that the line Ka = 1 corresponds to the situation

where = .
0
l
Now we shall consider an example of estimation of the regimes

of combustion potentially present in a nuclear reactor, in case of
hydrogen release

81
(Cordoba
08/2007)
Diagram of turbulent premixed combustion: practical application

Hydrogen risk in a PWR in case of water leakage in the
primary water circuit of the reactor

82
(Cordoba
08/2007)
If H2 gets into the confinement

Mixture H2/Air/H2O in the
Energy deposit,
confinement
spark,
Combustion
Pressure
Damage to the airtightness of the confinement
Radioactive products release in
the
atmosphere
83
(Cordoba
08/2007)

28 March 1979 : Three Mile Island accident
Between 100 et 174 : the reactor core was

uncovered
Between 174 et 200 : emergency cooling systems
stopped the uncovering process
Between 200 et 930 : the water level was back to
normal
Zr + 2 H 2O ZrO2 + 2 H 2 + Q
Q = 586,6kJ / mole
320 kg H2 (8 % in volume) released

Pressure rise of 2 bars due to a deflagration
84
(Cordoba
08/2007)
Two preliminary steps are necessary:
The determination of the basic properties of lean H2-Air mixtures

(laminar flame speed).
the determination of the turbulence length scales in the reactor.

85
(Cordoba
08/2007)
Laminar flame speed ?

Collecting data in the litterature.
Calculations with Chemkin II (1986) / Premix (1985) with

detailed chemistry or global scheme.

86
(Cordoba
08/2007)

Experimental set-up s to determine the laminar flame velocity
Flame front
Flame
front
reactants
reactants
electrodes
Spheric bomb
(Dowdy et al, Lamoureux et al)

Flame front
Reactants
electrodes
Double kernels
(Andrews et Bradley, Koroll et al)

reactants
Flame front
Bunsen burner
(Liu et MacFarlane,
Lewis et von Elbe)
Opposed jets
reactants
(Egolfopoulos et Law)

87
(Cordoba
08/2007)

Vitesse de flamme laminaire [cm/s]
250
225
200
175
Andrews et Bradley (1973)

Liu et MacFarlane (1983)
Lewis et von Elbe (1987)
Egolfopoulos et Law (1990)
Dowdy et al (1990)
Law (1992)
Koroll et al (1993)
Lamoureux et al (2000)
150
*
*
*
125
100
75
50
25
0
10
12
14
16
18
20
22
24
Concentration en hydrogne [%]
26
28

30
88
(Cordoba
08/2007)

250
225
200
+x
175
K e e e t a l (1 9 8 5 )
W e s tb ro o k e t D ry e r (1 9 8 4 )
M a a s e t W a rn a tz (1 9 8 8 )
B a la k ris h n a n e t W illia m s (1 9 9 4 )
G a s R e s e a rc h In s titu te (1 9 9 9 )
R a c tio n g lo b a le (1 q u a tio n )
G ttg e n s , M a u s s e t P e te rs (1 9 9 2 )
L a m o u re u x e t a l (2 0 0 0 )
125
In the
litterature
+
+
50
25
0
10
100
75
12
14
+
+
150
calculations
x
xx x
x
x xx
16
18
20
22
24
26
C o n c e n tra tio n e n h y d ro g n e [% ]
28
30

89
(Cordoba
08/2007)
Comparison between experiments and numerical results

250
225
200
175
150
*
+
125
50
25
0
10
12
14
100
75
x
xx x
x
x xx
16
18
20
22
24
26
C o n c e n tr a tio n e n h y d ro g n e [ % ]
28
30

90
(Cordoba
08/2007)

Plausible domain
Vitesse
deflamme
flammelaminaire
Vitessede
laminaire[cm/s]
[cm/s]
260
90
VAverage
itesse m oyenne
num rique
numerical
values
V itesse m
oyenne exprim entale
Average
experimental
240
80
values
220
70
200
180
60
160
50
140
120
40
100
30
80
60
20
40
10
20
00
88
10 9 12
1014
16
11
18 12 20
22
13
24
14
26 15 28
CConcentration
oncentration en
]
en hydrogne
hydrogne [%
[%]
30
16

91
(Cordoba
08/2007)
60 m
Overall view of the reactor

92
(Cordoba
08/2007)

Generic flow configuration retained
Wake
Jet
Configuration
[m]
Grid turbulence
u' [m/s]
Jet
0.05 - 0.8
1 - 15
Wake
0.05 - 2
0.22 - 5.6
Grid
0.02 - 0.05
0.03 - 1
0.02 u' 2 m
0.03 15 m /s
93
(Cordoba
08/2007)
Resulting estimated locations of the related regimes of

turbulent premixed combustion
0
10
10
Ka = 100
Re
10
10
10
Da < 1
Ka > 100
0
10
10
-1
10
-2
10
Ka = 1
Da >> 1
Ka > 1
10
Da = 100
Da = 1
u' /S L
Re
t
Ka < 1
Da >> 1
Re
t
-2
0.
Flamelet regime
01
10
-1
10
10
10
10
10
10
10
10
lt / 0L

94
(Cordoba
08/2007)
A minimal model of turbulent combustion in the

Flamelet regime

95
(Cordoba
08/2007)
Premixed flamelet model

Pioneered by Bray-Moss-Libby in the 1980 s
Da>>1, Ret>>1, Ka<< 1, isenthalpic
c~ = c = 0
Reactants
Products
c~ = c = 1
Mach 0, global irreversible reaction R P

96
(Cordoba
08/2007)
Premixed flamelet model

T TR
Progress variable c =
TP T R
(x,t)
(x,t)
P(c;x,t)
P(c;x,t) = (x,t)(c)+(x,t)(1-c) + f(c) [H(c)-H(1-c)]

97
(Cordoba
08/2007)
Premixed flamelet model: equations for a planar 1D turbulent flame
reactants
products
Closure
u%
+
= 0
t
x
4
u%
u% u%
p
u
+
+

u '' u '' = 0
3
x
t
x
x
required
c%
u% c%
c
+
D
u '' c '' = &
t
x
x
1 +
(E
1 ) c%

98
(Cordoba
08/2007)
Premixed flamelet model:
Under the model hypotheses, the signal c(t) at a given

point has the following shape (telegraphic signal)
t Pi
i= N
i=N
tP
< c >=
with t P = t pi , t R = t Ri
t Pi+2
tR + tP
i =1
i =1
t Pi+1
t Ri
t Ri+1
Mean crossing frequency
wf
Average reaction rate per flamelet crossing
Flamelet crossings
2
Exercise 7: show that =
tR + tP

99
(Cordoba
08/2007)

c
Solution Ex. 7:
Instantaneous signal
tP
tP
tP
Two crossings for a

duration t P + t R =
tR
tR
tR
2
tP + tR
tP
Reconstructed regular instantaneous signal

of same duration, same number of crossings
obtained by duplicating the same pattern
tR

100
(Cordoba
08/2007)
Let us call p0(x,t) the probability that

c(x,t)=0,
and derive a differential equation for it.
We have:
(we drop out the x for convenience)
p0(t+dt)= P(c(t)=0).P(c remains at 0 during dt) +

P(c(t)=1).P(c switches from 1 to 0 during dt)
So:
p0(t+dt)= p0(t) . P(c remains at 0 during dt) +
(1- p0(t)).(1- P(c remains at 1 during dt))

101
(Cordoba
08/2007)
Suppose that the statistics of tr and tb

follow a Poisson law namely:
dt / t r
P(c remains at 0 during dt)= e-adt= e
P(c remains at 1 during dt)=
e-dt=
e dt / tb
p0(t+dt)= p0(t) . e-adt +(1- p0(t)).(1- e- dt)

in the limit dt tends to 0: p0(t)=-(a+ ) p0(t)+
and the solution is given by:
p0 (t ) =
[1 e ( + ) t ] + p0 (t = 0)e ( + ) t

102
(Cordoba
08/2007)
For t +
p0 (t ) =
and p1 (t ) = 1 p0 (t ) =
It is now possible to calculate the auto-correlation

signal of c, namely R()= <c(t) c(t+ )> to extract its
integral time scale
< c(t ) c(t + ) >= 1 P(c(t )c(t + ) = 1)

< c(t ) c(t + ) >= P(c(t ) = 1) P(c(t + ) = 1 / c(t = 1))

103
(Cordoba
08/2007)

< c(t ) c(t + ) >=
p1 ( ) with t as time origin
+
For t +
[
(1 e ( + ) ) + p1 (t )e ( + ) ]
Thus : < c(t ) c(t + ) >=
+ +
But p1(t)=1 because c(t)=1 is a certain event, so:
( + )
< c(t ) c(t + ) >=
[
e
]
2
( + )
or equivalently :
< c(t ) c(t + ) >=< c(t ) > (1 < c(t ) >) e
2< c ( t ) > (1 < c (t ) > )
+ < c(t ) > 2

104
(Cordoba
08/2007)
For 0 < c(t ) c(t + ) >< c 2 (t ) >=< c(t ) >

For < c(t ) c(t + ) >< c(t ) > 2
Defining now:
2
<
c
(
t
)
c
(
t
+
)
>
<
c
(
t
)
>
R * ( ) =
< c(t ) > (1 < c(t ) >)
We obtain that the integral time scale T = R * ( ) d

is such that : T =
2 < c(t ) > (1 < c(t ) >)
2 < c(t ) > (1 < c(t ) >)

so : =
T
105
(Cordoba
08/2007)
w f is the statistical average carried out over a large

number of flamelet crossings. Each flamelet is characterized
Sl
by its conversion rate given by
and by its crossing time tc
R Sl
tc
at the point of observation, so its related production rate is
l
R Sl
wf =
tc
l
flamelets
If Sl are supposed to be statistically independent, then:
R Sl
wf =
tc
l
R Sl
flamelets
tc
R Sl I0
0
tc
(with I 0 1)

106
(Cordoba
08/2007)

For low turbulence intensity R S l I 0
0
tc 1
can be considered as a
l t
constant (Bray et al., 1988). Non constant expressions have been also proposed
by Bray (1990).
Thus, the mean reaction rate can be written as:
2R S I0
0
since < c >=
2R S 0 I0
l
with =
tc
< c > (1- < c >)

t
(1 + )c%
(two-delta pdf) it can be reexpressed in Favre average:
1 + c%
tc
(1 + )
c% (1 c% )
(1 + c% ) 2
TP TR
TR
107
(Cordoba
08/2007)
This demonstrates the proportionality of the

mean reaction rate to <c> (1-<c>) that reads in
the end:
= f
o
~
~
( , f , S L , T , I o , L)c (1 c )
This typically the source term considered by

Kolmogorov, Petrovskii and Piskounov (KPP,1937) but for
a constant density - constant diffusion case.

108
(Cordoba
08/2007)
u "u " and u " c " ?
The simplest approach gradient approximations

u%i u% j 2
u%l
+
+ k + t
ui "u j " = t
ij
x j xi 3
xl
t c%
(no possibility of so-called counter-gradient diffusion)
ui " c " =
Sct x j
where the turbulent dynamic viscosity has to be calculated by use
of a turbulence model (k - model for instance) and the turbulent
Schmidt number has to be set.
More elaborated approaches rely on the resolution of dedicated
equations for either ui " u j " or ui " c " or both. (See Pope, 2000)
109
(Cordoba
08/2007)
Premixed flamelet model: propagation properties ?

We use the KPP technique to analyse the propagation properties of an 1-D
turbulent planar flame modelled as (frozen turbulence):
u%
+
=0
t
x
% % p 2 k r
u% uu
4
u%
( t
)=0
+
+
+
t
x
t 3 x
x 3
x
%%
c% uc
u%
( Dt
) =
+
t
x
x
x
with a "generic" source term given by:
c% (1 c% )
= Aw
where is the heat release parameter
Dw
(1 + c% )
T Tr
= b
and k r is the turbulence kinetic energy
Tr
prevailing in the reactants.
110
(Cordoba
08/2007)

We consider two different situations:
Situation 1
=c(1-c)
Variable density
Constant Dt
Regular mean reaction rate
Situation 2
(c)
Or
Variable density
Constant Dt
Quenched mean reaction rate
0
c*

111
(Cordoba
08/2007)

In both situations one can use the KPP
technique to study the steady regime of propagation
Dt (c~ ) dc~
~
with m = r S t = cst
P (c ) =
m
dx
The steady c~ - equation can be written as :

Dt (c~) c~(1 c~)
~ > c*
c
(c~) = Dt0 (1+ c~)Dw +1

~ c*
0
c
D = D (c~ = 0)
dP
1
P ~ = P 2
dc
t0
Dimensionless velocity: = m
1
A f Dt0
No quenching:c* = 0

112
(Cordoba
08/2007)

Without quenching c*=0: KPP scenario
Characteristic equation near the singular points:
s2 s +
Reactants side:
Products side:
' ( 0 ) = 0 , real roots
if > 2
'(0) =
s2 + s +
1
2
0.05
(node)
' (1 ) = 0 ,
real roots (saddle
P(c)
point)
< KPP
KPP = 2
> KPP
0.04
There exists a continuous spectrum of
0.03
propagation velocity limited from below by
0.02
0.01
point
de
selle
noeud
0
KPP
0.2
0.4
0.6
0.8
St 2
Aw Dt 0 ' (0)
= S tKPP

113
(Cordoba
08/2007)

With quenching
c*0
On the interval [ 0 , c * ] the P - equation is reduced to :

dP
P ~ = P and the solution is P ( c~ ) = c~
dc
On the interval [c * ,1], the selected trajectory
is the
one that intersects
the above
linear
branch
at ( c * , c * )
There is only one possible trajectory and

consequently only one propagation velocity which
KPP
is smaller than S t !
Tangent to
PKPP
Integration from the vicinity of the saddle point in the

direction of the point (c*, c*) yields the trajectory in the
phase space usable to get the flame structure in the
physical space (Sabelnikov et al., 1998).
Then, the resulting profiles can be compared with those
produced by simulations in the physical space.
114
(Cordoba
08/2007)

Asymptotic behavior of the P-equation when
c* 0
Development at first order

Outer solution :
c~
Inner solution :
lim 2 ' (0)
c~
=
c*
lim 2 ' (0)
matching
lim = 2 ' (0)
So when c* 0
(c*) min

115
(Cordoba
08/2007)
A numerical method for Mach zero reacting flows: the artificial

compressibility method
(in cooperation with Catherine Corvellec, Wladimyr Dourado Vladimir Sabelnikov)

116
(Cordoba
08/2007)
Artificial compressibility approach

Developing a numerical method to deal with unsteady
reacting flows at "zero" Mach number
This method should:
be simple, versatile and easy to implement
lead to a program structure familiar to people usually
calculating inert compressible flows (unlike specific
schemes as SIMPLE(R) or PISO approaches )

117
(Cordoba
08/2007)

Basic idea: introducing a finite-sound speed in the system
Continuity equation
equation for the pressure
Proposed by Chorin (1967) for inert flows

Unsteady inert flows (Soh et al. 1988, McHugh et al. 1995
Extended to steady zero Mach number reacting flows by Bruel et al.
(1996).
Extended to unsteady zero Mach number reacting flows by Corvellec et al.
(1999).
It is well suited to transform a compressible solver based code into
a code able to deal with zero Mach number reacting flows

118
(Cordoba
08/2007)

artificial compressibility factor: controls the magnitude of the artificial
sound speed that distributes the pressure throughout the computational
domain
1 p
+ +.(U) = 0
t
original equation
pseudo-time term: is brought to zero

real unsteady term: treated as a source
between two physical time steps
term during convergence loop in
pseudo-time.
119
(Cordoba
08/2007)
The artificial sound speed is given by a c = u 2 +

and the pseudo-Mach number is M c =
u
u2 +
<1
but its value can be controlled through the setting of .

120
(Cordoba
08/2007)
Artificial compressibility approach for 1D turbulent flame: a concrete example
q ( F i F v )
+
=S
t
x
F i regroups the convective terms and F v the other fluxes.
S is the source vector, namely:
0
u%
2
4
i
v
2
q = u% ; F = u% + p + k R ; F = t
3
3
c%
uc
%
%
Dt
u%
; S = 0
x

%
c
x
c% (1 c% )
with a generic flamet model source term ie: = Aw
(1 + c% ) Dw
121
(Cordoba
08/2007)

q q ac ( F ac F v )
+
+
=S
t
x
p/
with: q = I 2 q; q ac = I 1 q and F ac = I 2 F i with: I 1 = 0
0
u%
p
ac
ac
giving:
q = u% q = u% M F = u% 2 + p +
c%
c%
uc
%%
0 0
1 0 ; I 2 = 0
0
0 1
0 0
1 0
0 1
2
kR
3
Since we deal with both the physical time t and the pseudo-time ,
there are two nested loops, that we shall index by n (physical time) and (pseudo time,
so from the solution at physical time tn , the solution at time tn +1 = tn + t is obtained
q ac
when the term
tends to zero. The corresponding system reads as:
q ac
n +1, +1
( F ac F v )
+
x
n +1, +1
=S
n +1, +1
n +1, +1

122
(Cordoba
08/2007)

Discretisation of the physical time deivative and treatment of the source term:
ac n +1, +1
q
t
n +1, +1
=3
The term q
q
n +1, +1
= q
(F
n +1, +1
n +1,
q
t
n +1, +1
q q
n +1, +1
n +1, +1
n 1
+ O ( t 2 )
2 t
is treated implicitly in pseudo time ie:
q
+ ac
q
n+1,
n +1,
. q
ac
n +1, +1
with: q = q ac
iteration cyle in . Thus:
ac
=S
2t
n +1, +1
n +1, +1
F )
x
ac
3 q
=
2t q ac
q ac
n+1,
n +1,
n +1,
. q ac
n+1,
is the increment brought to zero during the

n +1,
n
n
n 1
q
q
q q
+3
+ O ( t 2 )
2 t
2t

123
(Cordoba
08/2007)

The source term is decomposed into its positive and negative contribution. The former is
treated explicitly in pseudo-time while the latter is treated implicitly, namely:
S
n +1, +1
SS+
= S-
n +1, +1
n +1, +1
= S-
n +1, +1
= S+
+ S+
n +1, +1
S + ac
q
n +1,
n +1,
with:
n +1,
. q
ac
n+1,
+ O ( 2 )
+ O( )
The unsteady terms in pseudo-time is expressed with an implicit Euler expression, ie:
ac n +1, +1
ac n +1, +1
ac n +1,
+ O( )

124
(Cordoba
08/2007)

An implicit treatment in pseudo-time is applied for the convective and diffusive terms
ac
v n +1,
n+1,
(F F )
(F F )
ac
. q
=
ac
x
x
q
So, the system of equation can be written as:

ac
n +1, +1
n +1,
n+1,
1
3
ac
q
I . + A. - P . C . +
G.
2t
x
x

( F ac F v ) n +1,
+
+ O ( 2 )
x
( F ac F v )
=
x
n +1,
n +1,
+S
n
2t
n +1,
q q
n 1
2t
The different matrices are defined by:

An +1,
F ac
= ac
q
n +1,
P n +1,
F v
= ac
q
n +1,
C n +1,
S = ac
q
n +1,
G n +1,
q
= ac
q
n +1,

125
(Cordoba
08/2007)

I is the 3x3 unit matrix and after some algebra (long but not difficult), one gets for the
other matrices:
An +1,
= 1 2u%
0 c%
2
u% k R
3
(1 + c% )u%
n +1,
C n +1,
0 0
= 0 0
0
%
%
+
(2
(2
)
)
A
c
D
c
w
0 0 w
Dw 1
R
(1 + c% )
n +1,
n +1,
0
0
0
n +1,
1
u%
4
4
n +1,
= 0
P
.
G n +1, = 0 1
0
t .
t
3 x
3 x
0 0
1
t 1 + c%
0
.
0
Sc
x
In P n +1, , the . indicates that the derivative has to be made after performing the matrix product .
126
(Cordoba
08/2007)
Mesh stencil and spatial discretisation

n+1,
q
i
ac
x p (i 1)
u%
= p and
c%
xu (i 1)
x p (i)
x p (i + 1)
xu (i)
xu (i + 1)
x p (i + 2)
Non uniform physical

mesh
(i 3)
(i 2)
(i 1)
(i)
(i + 1)
(i + 2)
(i + 3) Uniform
computational mesh
= 1
127
(Cordoba
08/2007)

The numbering for the unknowns on a nx-node mesh M is such that:
n+1,
q
i
ac
[ p ]n +1,
i 1/ 2
n +1,
= [ u% ]i
+
n
1,
[ c% ]
q ac n +1,
1 i 1/ 2
notation
n +1,
= q2ac
ac n +1,
q3
with i 2, nx -1 , the boundary conditions are applied at nodes i = 1 and i = nx.

=
will involve the jacobian of the mesh transformation ie:
x x
2
= x p (i ) =
For u% and c% derivatives at a pressure node:
x
xu (i ) xu (i 1)
The space derivatives
For p derivatives at a velocity/scalar node:
2
= xu (i ) =
x
x p (i + 1) x p (i )
For u% and c% derivatives at a velocity/scalar node:
4
= x (i ) =
x
xu (i + 1) xu (i 1)

128
(Cordoba
08/2007)
With such a choice the space derivatives can be expressed as:

Implicit convective terms
n +1,
ac
.
A
q
x 12 2
i 1/ 2
n +1,
ac
.
A
q
x 21 1
n +1,
n +1,
ac n +1,
ac n +1,
x p (i ) A12 i q2 i A12 i 1 q2 i 1
n +1,
n +1,
ac n +1,
ac n +1,
xu (i ) A21 i +1/ 2 q1 i +1/ 2 A21 i 1/ 2 q1 i 1/ 2
n +1,
x (i ) n +1,
ac
ac n +1,
Alm i +1 qlm
Alm
x Alm . q1
+
1
i
2
i 1/ 2
for ( l , m ) {(2, 2),(2,3),(3, 2),(3,3)}
n +1,
i 1
q
i 1
ac
1m

n +1,
129
(Cordoba
08/2007)

Implicit diffusive terms:
n +1,
ac
.
q
22
2
x
n +1,
ac

P
.
q
3
23
x
n +1,
ac
P
q
3
33
x
d 2+
n +1,
n +1,
q2ac
+ d2
i +1
i +1
n +1,
q2ac
i
n +1,
n +1,
n +1,
n +1,
u%
u%
q3ac
d 2+
+ d2
i +1
i +1
i
n +1,
%
+ 1+ c
d3
n +1,
q3ac
+ d3
i +1
i +1
n +1,
q3ac
i
1 + c%
+ d 2
n +1,
n +1,
i 1
n +1,
q2ac
i 1
n +1,
n +1,
u%
q3ac
+ d 2
i 1
i 1
n +1,
q3ac
i
%
1+ c
+ d3
n +1,
i 1
n +1,
q3ac
i 1
with:
d
n +1,
+ n +1,
2 i +1
4 t
= xu (i ) x p (i + 1)
3
+ n +1,
3 i +1
= xu (i ) x p (i + 1) t
Sct
i +1
4
+ t
3
n +1,
+
i +1
n +1,
t
Sct
n +1,

130
(Cordoba
08/2007)

Implicit diffusive terms (continued):
d
n +1,
2 i +1
n +1,
3 i +1
d2
n +1,
i
n +1,
4 t n +1,
4 t
= xu (i ) x p (i )
+
3 i
3 i 1
n +1,
n +1,
t
t
= xu (i ) x p (i )
+
Sct i 1
Sct i
= ( d
+ n +1,
2 i +1
+d
n +1,
2 i 1
d3
n +1,
i
= ( d
+ n +1,
3 i +1
+d
n +1,
3 i 1
and:
x p (i + 1) xu (i )
xu (i + 1) x p (i + 1)
=
=
(
1)
(
)
(
1)
(
)
+
x
i
x
i
x
i
x
i
u
u
u
x p (i ) xu (i 1)
xu (i ) x p (i )
=
=
(
)
(
1)
(
)
(
1)
x
i
x
i
x
i
x
i
u
u
u

131
(Cordoba
08/2007)

Implicit unsteady terms:
n +1,
G13 . q3ac
i 1/ 2
n +1,
G13 i
n +1,
q
i
ac
3
n +1,
n +1,
+ G13 i 1 q
i 1
ac
3
Thus, the system can be cast under the following block tridiagonal form:
n +1,
n +1,
n +1, . q ac i +1 + n +1, . q ac i
+ n +1, . q ac
n +1,
i +1
= RHSin +1,
The 3x3 matrices n +1, , n +1, and n +1, are given by:
n +1,
= xu (i )
n +1,
x (i ) u% d 2+
x (i )
c%
2
u% 2 1
%
+ u
k R d 2
x (i ) u%

3
2
%
1
c
+
(1 + c% )u%
+
x (i )
2
i +1

132
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n +1,
0
x p (i )
3
1
= xu (i ) 1 +
d 2
2 t
0
0
n +1,
x p (i )
0
1
= 0 x (i ) u% + d 2
c%
0
x (i )
n +1,
2 t
u%
d 2
3
1 + c% Aw c% (2 + (2 Dw ) c% )
1+
d3
+
2 t
R
(1 + c% ) Dw 1 i
n +1,
2 t
u% 2 1
%
u
x (i ) u%
k R + d 2
%
c
1
+
(1 + c% )u%
x (i )
+ d3
i 1
2
The system can be solved by using a standard Loower-Upper (LU) decomposition based algorithm.
133
(Cordoba
08/2007)
The mesh is adapted by using two criteria on the gradient and the curvature of
% namely:
the scalar c,
xi +1
xi +1
xi
xi
c%
dx 1 max c% min c%
x
2 c%
c%
c%
dx 2 max min
2
x
x
x
Typically, 1 and 2 0.05.

134
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08/2007)
Initialization of mesh and solution: i=1

M n+1,i = M n and calculation of Si n+1 on M n+1,i
Beginning of the combination of the adaptive
gridding loop and artificial compressibility loop
i = i+1
Calculation of mesh M n+1,i
=0: Si n+1,0 = Si-1 n+1
=+1
135
(Cordoba
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Solve the system to get Si n+1,

no
|Si n+1,- Si n+1,-1|Lmax <

yes
no
Solution satisfies gradient and

curvature constraints
yes
You have the solution Sn+1

Increment your physical time step and start again !
136
(Cordoba
08/2007)
Parameters influencing the convergence rate

Reduced artificial compressibility factor
ac =
2
uref
Two times are involved Two Courant number must be considered

pseudo Courant number
physical Courant number
t
C rt =
St0
x
where uref and St0 are characteristic velocities of the flow under study.
137
(Cordoba
08/2007)

Examples of results, test cases definitions with a continuous quenched mean
reaction rate (Corvellec, 1998):
u R' ( m / s )
c*
Sct
Aw ( kg / m3 / s )
R ( kg / m3 )
( kg / m / s )
3
case 1
5
1
0.03958
0.001
0.75
1200
1.1886
case 2
5
10
0.03958
0.001
0.75
48000
1.1886
(c% - c* )(1 c% )
Aw
(1 + c% ) 2
(c% - c* )(1 c% )
Aw
(1 + c% ) 2
The corresponding theoretical turbulent flame velocity is 0.5 m/s (case 1) and 10 m/s (case 2)
138
(Cordoba
08/2007)
Case 2: influence of the parameters

Cumulated pseudo-time
steps
Cr = 0.5
t
Cumulated pseudo-time
steps
(12 physical time steps)


139
(Cordoba
08/2007)
Flame propagation in
case 1
20 physical time
steps between two
consecutive curves
Initial profile at t=0

140
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08/2007)
Steady propagation regime
Flame propagation in
case 1
Time

141
(Cordoba
08/2007)
Case 2
Cases 1 and 2
Case
1
Time
142
(Cordoba
08/2007)
Pressure
gradient
through the
mean flame
brush
Case
AC
1method
Case
2
Results from
the calculation
of the
trajectories in
the phase space

143
(Cordoba
08/2007)
Artificial compressibility approach: application to finite volumes on hybrid meshes
ole
i=3
i=3
f i=3
= 7
ki=3
=1
=2
3 f i=3
f i=3
=6
Volume de Controle
para i=3
k i==3
ki=3
=7
f i==34
ki==3 5
3
f=
i=3
k i==3
5
f =i=3
ontr
e de C
Volumra i=1
pa
i=1
Vsi=1
k
k=
2
k =i=1
ki=1
= 1
f i=3
=1
ki=3
=2
i=2
Volume de Controle
para i=2
Vs
i=2
Unstructured 2D hybrid grid, cell vertex, finite volume (Dourado et al. 2004),
The fluxes through each face delimitating the control volume are evaluated by using
the arithmetic average of the two fluxes at the nodes that delimit the face.
Pseudo-time integration: three-step Runge Kutta scheme.
Physical time integration: second order implicit Euler scheme.
144
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08/2007)
Two flow configurations are considered
Tb (c=c=1)
uf
ub=uf+St

Tf(c=c=0)
h=9.6 mm
Turbulent channel flow of
Air or Air + propane
H=28.8 mm
Bluff-body inert wakes.

(Sanquer, Bruel and Deshaies, AIAA Journal, 1998)
<
St
Vitesse du front de flamme moyen relativement aux gaz frais
Quenched flamelet modeled 1D turbulent planar

flame.
Sabelnikov, Corvellec and Bruel, Combustion and Flame, 1998
Corvellec, Bruel and Sabelnikov, Int. J. Num. Methods in Fluids, 1999.

145
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Experimental conditions:
Re obs =
uaxis h
= 2240
The frequency of vortex shedding observed experimentally is

equal to 89 Hz corresponding to a Strouhal number of 0.276.
Numerical simulation: standard k- model + Reichardt type law of

the wall, with a distance to the wall wall set to 3.6mm for the
channel walls and to 0.5 mm on the bluff-body walls. The inlet
profiles come from a separate calculation of a fully developed
turbulent channel flow.

146
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Mesh (I) and Detail Near the Bluff Body

Mesh properties:
0.08
0.07
14694 elements
0.06
0.045
22696 faces
0.05
0.04
0.04
8002 control volumes
0.03
0.02
0.035
0.01
Simulation parameters:
Cr=2 , t= 10-4 s is
chosen in order to
ensure a resolution of
approximately 100 time
steps per period of
vortex shedding
Y [m]
0.03
0.05
0.1
0.15
0.025
0.02
0.015
0.01
0.005
0.05
0.06
0.07
0.08
X
[m]
0.09
147
(Cordoba
08/2007)
Vorticity time evolution
Kinematic turbulent viscosity coefficient

time evolution
The simulation yields a frequency of vortex shedding equal to 87 Hz

148
(Cordoba
08/2007)

Numerico; k- padrao com Reichardt WL
Sanquer, 1998
X/Lr = 0.8
0.4
1
0.9
Numerico
Sanquer, 1998
0.8
0.2
0.6
Y/h
k/U a
0.7
0.5
0.4
0.3
0.2
0.1
x/X r
0
-0.5
X/Lr = 0.8
0.5
1.5
u/U a
Numerico; k- padrao com Reichardt WL

Sanquer, 1998
0.9
0.75
0.8
0.5
0.7
0.25
u/U a
Y/h
0.6
0.5
Numerico
Sanquer, 1998
0.4
-0.25
0.3
-0.5
0.2
-0.75
0.1
0
0.5
1
2
k/U a
-1
x/X r
149
(Cordoba
08/2007)
u~
+
=0
t
x
u~ u~ u~
+
+
t
x
c~ u~ c~
+
t
x
p 2 k r
4
u~
( t
)=0
+
x 3 x
x 3
x
c~
( Dt
)=
x
x
Tb (c=c=1)
uf

Tf(c=c=0)
ub=uf+St
with a " generic" source term given for instance by 0:

x
c~ (1 c~ )
~ > c*
c
Aw
S
=
(1 + c~ ) D w
<
Vitesse du front de flamme moyen relativement aux gaz frais

0
c~ c *
T Tr
where = b
is the heat release parameter and k r is the
Tr
t
turbulence kinetic energy prevailing in the reactants.

150
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08/2007)
Obviously, the mesh is 2D !
Y [m]
0.10
0.00
0.1
0.2
0.3
0.4
0.5
X [m]
The various parameters

defining the flames are
chosen to ensure that:
Case 1: St= 0.5 m/s
Case 2: St = 10 m/s
We use a continuous source term given by :

(c~ c*)(1 c~ )
~ > c*
c
C w (1 + )
=
(1 + c~ ) Dw
0
c~ c *
=5
c* = 0.03958
C w = 200 (case 1) or 8000 (case 2), in kg / m 3 / s

151
(Cordoba
08/2007)

1.2
-40
1
20
0.6
40
p/x
-~
u
~
c
0.4
0.2
60
0.8
-~
Example of profiles
obtained in the steady
case i.e. the fresh
reactants are flowing
into the domain at a
velocity equal to the
propagation velocity
p/x [Pa/m]
u [kg/(m s)], c
-20
80
100
120
0
0.1
0.2
0.3
0.4
0.5
X [m]
152
(Cordoba
08/2007)
10-2
10-3
- ~
RHS u
One recovers the

influence of on
the convergence
rate
=6
^
=7
^
=8
^
=9
^
= 10
^
= 12
^
= 16
^
= 32
^
= 57
10-4
10-5
100
200
300
400
Iter (/100)
500
600
700

153
(Cordoba
08/2007)
100
p/x
- [Pa/m]
110
75
And comparison with

1-D simulations
105
- [Pa/m]
p/x
Influence of the mesh

refinement on the
quality of the solution
50
100
25
~c0.05
0.1
Malha 1
Malha 2
Malha 3
Malha 4
Corvellec et al., 1999
-25
-50
0
0.25
0.5
~
c
0.75

154
(Cordoba
08/2007)

1.2
0.34
0.33
~
c=0.5
~
c=0.1
~
c=0.9
0.32
0.8
t=0.063 s
0.31
X [m]
0.3
0.6
20 passos no tempo fsico entre

duas curvas consecutivas
0.29
0.28
0.4
0.27
t=0 s (perfil inicial)

0.2
0.26
0
0.25
0.3
0.35
X [m]
1.1
0.25
0.24
0.4 0.9
0.01
0.02
0.03
0.04
0.05
0.06
t [s]
0.8
0.7
c~
0.6
Caso I - Resultados deste trabalho

Caso I - Corvellec et al., 1999
Caso II - Resultados deste trabalho
Caso II - Corvellec et al., 1999
0.5
0.4
0.3
0.2
0.1
0
-0.1
0.45
0.5
0.55
0.6

155
(Cordoba
08/2007)
On the need of experimental data:

from engine certification procedure
to the development of LPP
combustor.

(Cordoba
08/2007)
Accidental boring of a jet engine combustion chamber

(In cooperation with Guillaume Lehnasch)

157
(Cordoba
08/2007)

Problem definition
- Form and propagation of the crack ?

- Stagnation conditions ?
- Angles and distances of impact ?
FAR 25.903 (d) (1)

- Diameter circular orifice
De = 1 inch
Engine : Rolls-Royce (ex : Trent 500 in A 340-500/600)
From http://aircraftenginedesign.com
- Should resists at least

during
3 minutes

158
(Cordoba
08/2007)
From Airbus
(Torch Flame History,
Department report,
D. Perrot 2003)
- 25.4 mm (1 inch) diameter

circular orifice
- Normal impact on the pylon truss
(between 10 and 50 cm)
- Impact between about 4 to 20 times

the diameter orifice De.
- Impact in the far field
or
- Impact in the near field
Require the ability to simulate

precisely the overall structure
of the jet

159
(Cordoba
08/2007)

Injection
Jet infrared signature, screeching noise
Raman (JFM Vol 336, 1997)
Loh, AIAA 2001-2252
Ben-Yakar et al.
(AIAA 97-3019)
Such jets are present in many other situations

Thermal spalliation
Vertical take-off
Drilling
(Short Take Off and Vertical Landing)
Zurbach (Snecma Moteurs)

(Ecole de Combustion 2004)
Safety
Presssurized reservoir
- gas pipeline
- nuclear reactor
- jet engine
An introduction
to the numerical simulation
daprs
daprs Wilkinson et Tester, Rock
http://www.columbia.edu/cu/mechanical/
Mech. Rock Engng,Vol 26, N1, 1993
ofdaprs
reacting
flows
Alvi, Californie
(private communication)
160
(Cordoba
08/2007)

Estimation of the range of parameters
Stagnation conditions
NPR = Nozzle Pressure Ratio

13.7 to 96
Ambient conditions
Reference case :
Combustion chamber
- Ti = from 1700 to 2200 K

- Pi = from 25 to 45 bars
- Fuel/Air ratio = 0.8 to 1.2
- Efficiency =
0.5 to 0.95
NPR = 16.6
Standard Atmosphere
- Sonic
- De = 25.4 mm
- Te = 1488 to 1957 K
- Pe = 13.7 to 25 bars
- Gamma = 1.25 to 1.285
Reference case :
-Te = 1700 K
-Pe = 16.6 bar
Reference case :
-Pi = 30 bars
-Ti = 1922 K
- Isentropic evolution 1D
- Kerosene Air diagrams
0,26 bar
223 K
3.54E-5 m/s
1 bar
288 K
1.46E-5 m/s
1000O m
Om
Reference case :
-0 m
-Pa = 1 bar

161
(Cordoba
08/2007)

Phenomenology : weakly underexpanded free jet
NPR = 1 - 2
De
Lc1
1 : Expansion waves, 2 : Incident shock, 3 : Isopressure line of the shear layer,
4 : Reflected shock, 5 : Jet shear layer

162
(Cordoba
08/2007)

Phenomenology : highly underexpanded free jet
Lc1
NPR = 2 - 7
De
DDM
XDM
Ls
1 : Expansion waves, 2 : Barrel shock, 3 : Isopressure line of the shear layer,

4 : Reflected shock, 5 : Jet shear layer, 6 : Mach disk, 7 : Triple point,
8 : Shear layer of the Mach disk, 10 : Subsonic zone
163
(Cordoba
08/2007)

Phenomenology : very highly underexpanded free jet
NPR > 10
Compressibility
effects
Acoustic
feedback
Grid adaptation
Dual subsonic/supersonic
nature
Anisotropic
effects
Taylor Grtler
instabilities
Complex shock structure

Shock
turbulence
interaction
High gradient
zones
-Boundary
conditions ?
-Nodes clustering ?
-Robustness ?
- Accuracy ?
Boundary
layer
effects
2 : Incident barrel shock, 3 : Isobaric line of the shear layer, 4 : Reflected shock,
5 : Main shear layer of the jet, 6 : Mach disk, 8 : Shear layer of the Mach disk

164
(Cordoba
08/2007)

Flow structure for the certification conditions from correlations of the litterature
po=30 bar, To=1922 K
r=1, pa=1 bar
3
Lnpa/De
ai = 47
Ri/De=3,6
Ddm/De Xdm/De=3,7
Ddm/De=2,3
Lnpa=5
Ls/De=2,9
ai,Ri
Y/De
NPR=16,6
Ls/De
Xdm/De
-1
Ashkenas et Sherman (1966):

Antsupov (1974):
Glotov (1998) :
X DM
pI
= 0,67
De
pA
DDM
De
pe 2 3
= log
pa 40,16

Ls
p
= 1,96. e
Ddm
pa
-2
10
X/De
From Airbus
(Torch Flame History,
Department report,
D. Perrot 2003)
Love et al. (1959) : polynomial expression for the incident shock

Radius of curvature as a function of NPR.
4 20 De
Simulation of the near jet

structure

165
(Cordoba
08/2007)

d
= +
p = p + p
~
T = T + T
V
=
V
i + Vi
i
k ~ k
+ Vi
=
t
xi
xi
t
s
s

+ Vi
=
+
t
xi
xi
pressre-dilatation term and compressible dissipation

rate from Erlebacher et al. (1991)
G term from (Jones et Launder (1972)
Turbulence model
t = C
k2
t k
Vi
p
Vi

+ Pk + p
+
x
x
x
k
i
i
i
k2
2
1 + 0 ,5 M t s
Consider and modify C or consider s and keep C ?
s s
C 1 (Pk + G ) C 2 s
+
x
k
i
) G
( s + d )
d = 0,4 Pk M t 2 + 0,2 s M t 2
2
d = 0,5M t s
2k
M t =
~
rT
G = 1 t p
t xi xi
Test
Use of s

Choice
166
(Cordoba
08/2007)

Presentation of the numerical method
Development of CFD code N3SNATUR (from INRIA)

- Axisymmetric formulation
- Unstructured mesh
- Evaluation of gradients of physical variables
by linear finite elements to extrapolate physical
Values at the cell interface (MUSCL approach)
Roe linearization:
Fij (Uijn,Unji, nij ) =1/ 2(F(Uijn) + F(Unji) Rij (Unji Uijn))

Van Leer flux splitting :
Fij (U ijn ,U nji , nij ) = F + (U ijn ) + F (U nji )

Ni
U in +1 = U in + t (1 / Vi Fij (U ijn , U nji , nij ) + Fb )

j =1

167
(Cordoba
08/2007)

Grid readaptation algorithm adopted
- Principle :
Dolej s method (1998)

Density
Density
Initial distribution of nodes
New distribution of nodes
A posteriori evaluation of the interpolation error field and anisotropic readaptation

- Evaluate the Hessian matrix
- Build the Error matrix E
- Build the new Riemann metric : ||v||=vTEv
- Iterative process of edge addition, deletion
moving (smoothing) or sweeping
- Example : edge sweeping

168
(Cordoba
08/2007)

Validation : moderately underexpanded air free jet
Effect of the readaptation ?
First cycle : 12057 nodes
in the core grid
6th cycle : 7385 nodes in

the core grid
Solution of the near field : map of mach number.
NPR = 1.75
Corresponding grids
5 readaptation cycles are sufficient to achieve convergence.

2 readaptation cycles and 7000-8000 nodes : sufficient for the solution to be
independent from the grid.
169
(Cordoba
08/2007)

Prescribing a pseudo-nozzle lip ?
NPR = 1
NPR = 1.75
Final solution without nozzle lip
1.0
1.5
2.45
3.0
without nozzle lip
0.94
1.44
2.33
2.86
Final solution with nozzle lip

with nozzle lip
Simulations require to use a pseudo nozzle lip.

170
(Cordoba
08/2007)

Lc1/De ~ 1.44
Xrr2/De ~ 2.30
Xrr1/De ~ 0.94
NPR = 1.75
Lc2/De ~ 2.84
Lc2/De ~ 2.76
Xrr1/De ~ 0.90
(Schlieren visualization from J. Panda and R.G. Seasholtz Physics of Fluids

Vol 11 (12) (1999))
Lc1/De ~ 1.36
Xrr2/De ~ 2.12

171
(Cordoba
08/2007)

Validation : highly underexpanded air free jet
NPR = 15.53
Initial calculation : 12057
nodes in the core grid
Final calculation : 10134

nodes in the core grid (4th
cycle of readaptation)
Stretching of meshes along

discontinuities - Zoom at the triple
point.
3 readaptation cycles and 7000-8000 are sufficient for simulating up to 10 De.

Limit the numerical diffusion.
Better capture the jump of physical variables accross discontinuities.
Converged solution nearly independent from numerical flux evaluation.
172
(Cordoba
08/2007)

NPR=7.55
NPR=15.53
XDM/De ~ 3.7
DDM/De ~ 2.16
DDM/De ~ 1.18
XDM/De ~ 2.54
Ashkenas
and Sherman :
Experimental
data from Love :
DDM/De ~ 1.84
X DM
P
= 0.67 I
De
PA
~ 2.54
DDM/De
~ 1.2
OK for NPR of up to about 8.

Then slight shifting (9-11% for NPR=15.53)
Schlieren
Visualization from
Ycel and
tgen (private
communication)
XDM/De ~ 3.4

173
(Cordoba
08/2007)

Comparison Euler / turbulent
Surestimation of the expansion zone
The susbonic zone length behind the Mach disk could be accurately predicted
174
(Cordoba
08/2007)

Preliminary study of the effect of burned gases
NPR=15.53
Hot jet
Effects under study :

Modified ratio of heat
capacities at the orifice.
Modified temperature.
Modified waves
velocities.
Pe = 1574020 Pa
Te = 1500 K
Ue = 310.35 m/s
Cp/Cv=1.26
Pe = 1574020 Pa
Te = 235 K
Ue = 310.35 m/s
Cp/Cv = 1.4
DDM/De ~ 2.46
DDM/De ~ 2.14
Cold jet
XDM/De ~ 3.85 3.87
Significant increase of Mach Disk diameter (+ 15%).

Higher curvature of density.
Longer time of computation.

175
(Cordoba
08/2007)

Preliminary study of the effect of burned gases
Comparison of highly refined grids after 3 cycles of readaptation.

Hot jet / 15519 nodes
Higher localized level of

curvature of density.
More instabilities in the shear layer.
Cold jet / 15911 nodes

Less nodes required.

176
(Cordoba
08/2007)

Preliminary study of the orifice effect
Zoom
at
inlet
Overall view of the grid
High clustering of nodes

around the first shock cell.
Progressive refinement
in selected zones
Compromise to be found for grid refinement near the wall

Problems of robustness
Zoom
near
the
wall
Goals :
Determine relevant profiles of physical variables
at the inlet.
Study the orifice effect on the geometrical
features of the first shock cell.c

177
(Cordoba
08/2007)

Preliminary study of the orifice effect
No-slip wall
T wall = 298 K
NPR=15.53
Effects under study :
Modified streamline
curvature.
Modified sonic line.
Modified entrainment.
No slip wall
T wall = 235 K
DDM/De ~ 1.88
XDM/De ~ 3.78
Pi = 2974900 Pa
Ti= 282 K
Ui= 5 m/s
Pe = 1574020 Pa
Te = 235 K
Ue = 310.35 m/s
Pa = 101353.5 Pa
Ta= 298 K
Ua= 17.3 m/s
DDM/De ~ 2.14
XDM/De ~ 3.88
Significant decrease of Mach Disk diameter (12%).

178
(Cordoba
08/2007)

CONCLUSIONS :
- Efficient procedure to precisely capture the purely convective features of
the near field of a highly underexpanded jet by only using a short computational
domain (about 10000 nodes)

- Satisfactory precision for NPR of up to about 15 (level for the reference test case).
- Necessity to take the orifice effect into account and precise thermodynamic conditions
can not be neglected.
- Further developments required :
- automate the global readaptation procedure for the orifice simulations.
- take variations of the ratio of specific heats into account during the expansion.
- multispecies.

179
(Cordoba
08/2007)
Presentation of an LPP combustor experiment dedicated to

the test of numerical simulations
(in cooperation with Magali Besson, Bruno Deshaies and Phuc Danh Nguyen)

180
(Cordoba
08/2007)
An experiment dedicated to the test of numerical simulations of LPP flows
LPP concepts: problems

The mixing of hot air + vaporised fuel can not be perfect
because of the risk of auto-ignition: there still exists
inhomogeneities of equivalence ratio.
Combustion instabilities are more likely to occur: they come
from acoustic related oscillations induced by the coupling
with the heat release and potentially with the intrinsic
instabilities of the premixed fronts.
How to model this type of flow ?

181
(Cordoba
08/2007) 7
Examples of relevant modelling

approaches
Large-eddy simulations (LES)
Unsteady Reynolds Average Navier-Stokes (URANS) based on
the semi-deterministic approach pionneered by Hussain and
Reynolds (1971).
One needs validation data !

Dedicated test facilities that feature simultaneously
large scale coherent motion and turbulence and for
which the boundary conditions are well defined.
182
(Cordoba
08/2007)
Why ?
To permit a fair test of conventional turbulence models that
could be used in URANS to deal with LPP systems
How ?
By performing LDV measurements in a dump combustor and by
applying a specific filtering aimed at disciminating between the
coherent motion which should be time resolved by the numeical
procedure and the stochastic motion which is to be modelled.
183
(Cordoba
08/2007)

ORACLES: One Rig for Accurate Comparisons with Large-Eddy Simulations
Upper flamme
Air + propane,
Air + propane,
Lower flamme
Flame
Visualization

184
(Cordoba
08/2007)

Air + propane
Flow parameters
Air + propane
We have considered a single global power and a single inlet channel Reynolds
number but three different combusting flows that meet these criteria namely:
1 kW
Global power: 220
Label
NC1
C1
C2
C3
ReU = ReL
QU = QL (g/s)
StU
StL
25000
25000
25000
25000
65
65
65
65
0
0.75
0.70
0.65
0
0.75
0.80
0.85

185
(Cordoba
23
08/2007)

Flow NC1: inert flow of reference
Flow C1: No inlet scalar gradient
Flow C2 vs. Flow C3: Increased inlet equivalence ratio difference
Regimes of
Schematic flow
combustion concerned
structure

186
(Cordoba
08/2007)
Flame fronts visualisations

Mean flow patterns vs instantaneous ones

187
(Cordoba
08/2007)

Inlet boundary
conditions
nC1
Velocity
spectra:
C1
Signature of the
coherent motion
Energetic peak
(50Hz) appears
on combusting
flows
C2
C3
Measurement point

188
(Cordoba
08/2007)

C1
Gaussian
nC1
Measurement point
Bimodality
periodic
motion
C1
C1
Stochastic
velocity
fluctuations:
Gaussian

189
(Cordoba
08/2007)
Semi-Deterministic Approach
up u
us
O
Triple Decomposition
u (t ) = u + u 'p (t ) + u s' (t )
Phase Average associated to

the flame brushes flapping
assuming that : u 'pus' = 0
< u > (t )

190
(Cordoba
08/2007)

Periodic vs stochastic fluctuations
u (t ) = u + u (t ) + u (t )
'
p
'
s
Time exposure:
1/50 s
< u > (t )
Phase average associated to
the flame brushes flapping
Time exposure:
assuming that u 'p u s' = 0
1/1000 s

191
(Cordoba
29
08/2007)
Example of Procedure for calculation of the

"modelled" Reynolds stresses
(k' - )
'
Evaluation :
u s , vs
u 's v's
t = u 's v's / u / y + v / x
Semi-Deterministic Approach extract
Calculation of the "modelled" Reynolds stresses :
( )
= 2 ( v / x ) + 2k / 3
u ' = 2 t u / y + 2k / 3
2
s
v'
2
s
k = u ' 2s + 2v' 2s / 2
192
(Cordoba
08/2007)

Phase averages
for case c1
Time evolutions
for a single cycle
The amplitude of the

velocity pulsation can
reach 5 m/s
Convergence
rate against
cycles number
for a phase angle
of 180
193
(Cordoba
30
08/2007)

Inlet measurements
Contribution of the coherent motion to the velocity fluctuations
Subscripts: p = periodic; s=stochastic
Y*=0, channel lower wall
Y*=1,
channel
upper wall
An introduction to the numerical simulation of reacting
flows
(Cordoba
194
31
08/2007)

Dump plane measurements
Contribution of the
coherent motion to the
velocity fluctuations

195
(Cordoba
32
08/2007)

Combustion chamber measurements
Mean axial velocity

196
(Cordoba
08/2007)

Cartography of the coherent energy in
the channels and in the combustor
Relative contribution of the periodic motion to the
local total energy of the U-fluctuations

197
(Cordoba
08/2007)
Combustor results : Comparison between

Reynolds stresses measured & modelled (k-)
U : Total
velocity
fluctuations
U : Stochastic
velocity
fluctuations

198
(Cordoba
08/2007)
Combustor results : Comparison between

Reynolds stresses measured & modelled (k-)
V : Total
velocity
fluctuations
V : Stochastic
velocity
fluctuations

199
(Cordoba
08/2007)

A comprehensive experimental database was built in the
framework of the European research programme
MOLECULES (available on request)
SET_2-1
+---DATA
| +---Processed_Data
| | \---Velocity
| |
+---Simultaneous_measurements_UV
| |
| +---Combustor
| |
| | \---Profiles_uv_Correlation
| |
| |
+---Case_c1
| |
| |
+---Case_c2
| |
| |
+---Case_c3
| |
| |
\---Case_nc1
| |
| +---Dump_plane
| |
| | \---Profiles_uv_Correlation
| |
| \---Inlet_channels
| |
|
+---Lower_channel
| |
|
| \---Profiles_uv_Correlation
| |
|
\---Upper_channel
| |
|
\---Profiles_uv_Correlation

200
(Cordoba
08/2007)

Layout of the velocity database
(available on request)
Processed data : Ascii, TECPLOT format
TITLE="Normalized uv correlation profile"
VARIABLES = "y/h", "uv/U2_bulk"
ZONE T = "Case c1, x=1h", I=23, F = POINT
0.33445 -0.01145924
0.50167 -0.01935893
0.6689 -0.04152713
0.83612 -0.04666726
1.00334 -0.0213238
1.17057 -0.00920461
1.33779 -0.0099421
1.50502 -0.00786702
1.67224 -0.00448202
1.83946 -0.00086226
2.00669 0.00004092
201
(Cordoba
08/2007)

Related numerical simulations using the ORACLES MOLECULES
database:
[1]. Kurenkov A. and Oberlack M., Flow, Turbulence and Combustion. 74,
2005, pp. 387-407.
[2]. Domingo P., et al, Combustion and Flame. 143, 2005, pp. 566-586.
[3]. Duwig C., et al, AIAA Paper 2007-0916, 2007.
[4]. Duwig C. and Fureby C., to appear in Combustion and Flame, 2007.
Request the database !

202
(Cordoba
08/2007)
Related references
Bruel, P., Karmed, D., and Champion, M., A pseudo-compressibility method for reactive flow at zero
Mach number , International Journal of Computational Fluid Dynamics, Vol. 7, p. 291-310, 1996.
Sabelnikov, V.A., Corvellec, C., and Bruel, P. Analysis of the influence of cold front quenching on the
turbulent burning velocity associated with an eddy-break-up model , Combustion and Flame, Vol.
113, No 4, p. 492-497, 1998.
Corvellec, C. Etude numrique et analytique des caractristiques propagatives dune zone de combustion
se dveloppant au sein dun coulement turbulent pmlang modlise par une approche de type
flammelette , PhD thesis, University of Poitiers, France, 1998.
Corvellec, C., Bruel, P., and Sabelnikov, V.A., A time-accurate scheme for the calculations of unsteady
reacting flows at zero Mach number , Int. Journal for Numerical Methods in Fluids, Vol. 29, p. 207227, 1999.
Corvellec, C., Bruel, P., and Sabelnikov, V.A., Turbulent premixed flames in flamelet regime: burning
velocity spectral properties in presence of counter-gradient diffusion , Combustion and Flame, Vol.
120, No 4, p.585-588, 2000.
Besson, M., Bruel, P., Champion, J.L., and Deshaies, B., Experimental analysis of combusting flows
developing over a plane symmetric expansion, Journal of Thermophysics and Heat Transfer, Vol. 14,
No 1, p. 59-67, 2000.
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Dourado, W.M.C., Bruel, P., and Azevedo, J.L.F., A steady pseudo-compressibility approach based on
unstructured hybrid finite volume techniques applied to turbulent premixed flame propagation ,
Engenharia Trmica, No 4, p. 41-48, 2003.
Nguyen P.D., Contribution exprimentale ltude des caractristiques instationnaires des coulements
turbulents ractifs stabiliss prmlangs stabiliss en aval dun largissement bruque symtrique
Ph.D. thesis, University of Poitiers, France, 2003.
Nguyen, P.D. and Bruel, P., Turbulent reacting flow in a dump combustor : experimental determination
of the influence of the inlet equivalence ratio difference on the contribution of the coherent and
stochastic motions to the velocity field dynamics , AIAA Paper 2003-0958, 41st Aerospace Sciences
Meeting and Exhibit, Reno, USA, January 2003.
Dourado, M.C.W, Bruel, P., and Azevedo, J.L.F., A time-accurate pseudo-compressibility approach
based on unstructured hybrid finite volume techniques applied to unsteady turbulent premixed flame
propagation , Int. Journal for Numerical Methods in Fluids, Vol. 14, No 10, p. 1063-1091, 2004.
Lehnasch, G. and Bruel, P., Some specific aspects of the simulation of highly underexpanded supersonic
jets , 5th Asian-Pacific International Symposium on Combustion and Energy Utilization, ISBN 962367-451-1, Hong-Kong, China, December 2004.
Lehnasch, G., Contribution ltude numrique des jets sous-dtendus, PhD thesis, University of
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Simulación Numérica de Flujos Reactivos

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An introduction to the numerical simulation of reacting flows

An introduction to the numerical simulation of reacting flows

Main objectives (continued)

Understanding a numerical method specifically

Why it is important to improve the predictive

An introduction to the numerical simulation of reacting flows

PROPULSION DEVICES: challenges

FOR MORE ENVIRONMENTALLY

CLEANER ENGINES ARE

An introduction to the numerical simulation of reacting flows

PROPULSION DEVICES: challenges

An introduction to the numerical simulation of reacting flows

Examples of ICAO engine exhaust emission for the clean engines

An introduction to the numerical simulation of reacting flows

CLEANER ENGINES: what is under development ?

Improvement of the injection system (Twin-annular

CLEANER ENGINES: what is under development ?

LPP concepts: problems

Where do they come from ?

A source of coherent motion: the thermo-acoustic instability

Consider a combustion chamber of volume V. By combining the

heat release fluctuation

An introduction to the numerical simulation of reacting flows

A source of coherent motion: the thermo-acoustic instability

Using the linearised momentum equation, the above equation

An introduction to the numerical simulation of reacting flows

A source of coherent motion: the thermo-acoustic instability

Integrating once, multiplying by

The first term represents the time derivative of the

An introduction to the numerical simulation of reacting flows

A source of coherent motion: the thermo-acoustic instability

Integrating over the chamber volume V delimited by the surface A

Understanding some aspects of the asymptotic

An introduction to the numerical simulation of reacting flows

Zero Mach number N-S equations

An introduction to the numerical simulation of reacting flows

Zero Mach number N-S equations

The pressure change through the wave can be evaluated from

where Mr is the Mach number defined by: M r =

Is it possible to derive this more analytically ?

Zero Mach number N-S equations

Zero Mach number N-S equations

C o n sid er th e real fu n ctio n f ( x ; ) = f ( x ) o f real variab le x

o r eq u ivalen tly: lim

(i+ 1 ) = o ( (i) ), L an d au n o tatio n )

If th ere ex ists a series o f fu n ctio n s f (0) ( x ),......... f ( N ) ( x ) su ch th at:

Zero Mach number N-S equations

f (0) ( x) = lim f ( x; ) / (0) ( )

An introduction to the numerical simulation of reacting flows

Zero Mach number N-S equations

For a given series , the AD of f ( x; ) does not

the form of the !

An introduction to the numerical simulation of reacting flows

Zero Mach number N-S equations

Exercise 1: Consider the following series

( x) is an asymptotic expansion of log(1+ )

An introduction to the numerical simulation of reacting flows

Zero Mach number N-S equations

Regular and singular perturbations

and their related solutions y(x, ) and y(x,0). If

Zero Mach number N-S equations

Example of regular perturbation: the low Mach number

with (newtonian fluid) : = ( u ) + ( u ) ( .u ) I