Modeling laminar partially premixed ames with

complex diusion in OpenFOAM

R
Danny Messig, Jens Keller, Bernd Meyer, Christian Hasse
Institute of Energy Process Engineering and Chemical Engineering
Freiberg, Germany
Sixth OpenFOAM Workshop
Pennstate
Contents
1
Introduction
2
Theoretical background
3
Validation
4
Flamelet results
5
Conclusions
2
Contents
1
Introduction
2
Theoretical background
3
Validation
4
Flamelet results
5
Conclusions
3
Introduction
Scope:
Numerical simulation of a laminar ame with complex diusion
What is diusion?
Transport phenomenon caused by concentration and
temperature gradients
What is amelet?
Subgrid model, representing chemistry, kinetics and transport
Physical representation of interaction between chemical
reactions and transport
Why amelet?
Solving detailed chemistry conventional
computational expensive
FLUTs (Flamelet Look Up Table)
enormous speed up
4
Contents
1
Introduction
2
Theoretical background
3
Validation
4
Flamelet results
5
Conclusions
5
Theoretical background
Governing equations:

t
+ (v) = 0

t
(v) + (vv) = p + +g

t
(h) + (vh) = q +
Dp
Dt
+

Q
Radiation

t
(Y
i
) + (vY
i
) = j
i
+R
i
OpenFOAM standard:

t
(h) + (vh) =
_

c
p
h
_
+
Dp
Dt

t
(Y
i
) + (vY
i
) = (Y
i
) +R
i
6
Theoretical background
Radiation model based on RADCAL [1]:

Q
Radiation
= 4p
N

i=1
X
i
a
i
_
T
4
T
4

_
Laminar heatux q and species uxes j
i
:
q =
N

i=1
h
i
j
i
. .
Inter-diusion
T
. .
Fouriers law

i=1
RT
M
i
X
i
D
T,i
X
i
. .
Dufour eect
j
i
= u
i
Y
i
, (u
i
diusion velocity)
7
Theoretical background
Diusion velocities u
i
:
u
i
= u
D,i
+u
T,i
+u
C
u
D,i
=
1
Le
i

c
p
1
X
i
X
i
, Fickian diusion
Le
i
=

c
p
D
m,i
, Lewis number
u
T,i
=
D
T,i
Y
i
1
T
T, Soret eect
u
C
=
n

i=1
(u
D,i
+u
T,i
) Y
i
, correction to ensure
N

i=1
j
i
= 0
Dierent modelling approaches for Le
i
, respectively
mixture-average diusion coecient D
m,i
8
Theoretical background
Flamelet:
Mixture fraction Z:
Z
t
+ (vZ) = (D
Z
Z)
Combustion in a diusion ame takes place in the close
vicinity of the surface of stoichiometric mixture Z
st
9
Theoretical background
Flamelet:
Changes are mainly in orthogonal direction on iso-mixture
fraction surfaces
Changes of temperature and composition are expressed as a
function of the orthogonal coordinate
10
Theoretical background
Flamelet:
Coordinate transformation and assumption leads to simplied
1D amelet equations:

Y
i
t
=

2Le
i

2
Y
i
Z
2
+R
i
Mixture fraction Z is now the independant coordinate
Full 1D amelet equations can be found in [2]
11
Theoretical background
new solver: lamReactingFoam:
Full transport equations for mixture-average diusion
implemented!
Dierent diusion models available
Added radiation [1]
Neglecting Dp/Dt for open laminar ames
Implemented in OpenFoam-1.5.x using
alternateChemistryModel [3]
12
Contents
1
Introduction
2
Theoretical background
3
Validation
4
Flamelet results
5
Conclusions
13
Validation
Validation against:
1
Fluent calculations
2
Experimental data
14
Validation against Fluent
Case setup:
Laminar, diusion
dominated gas ow
species properties from
same database
R
i
=

Q
Radiation
= 0
Domain with L = 0.25 m
Inlet Y
O
2
Y
H
2
O
Y
CH
4
Y
H
2
Y
CO
2
Y
N
2
T u
x
[] [] [] [] [] [] [K] [m/s]
1 0 0.2 0 0 0 0.8 300
0.1
2 0.38 0 0.4 0.2 0.02 0 1000
boundary conditions
15
Validation against Fluent
Results:
CO
2
-prole along outlet
16
Validation against experimental data
Flame characterisation:
premixed, partially premixed and non-premixed ame (f.l.t.r)
Primary equivalence ratio: =
_

V
prim. Air
_
st

V
prim. Air
17
Validation against experimental data
Case setup:
Domain L = 20 cm
Geometry data from [4]
Extruded domain (z < 0 cm)
Fully developed velocity prole at inlets
24100 non-uniform volume cells
3D structured 2

wedge mesh
Inlet 1 Inlet 2

V
CH
4

V
prim. Air

V
sec. Air
[] [cm
3
/min] [cm
3
/min] [cm
3
/min]

330
0
44000
2.464 1050
Bennett-ame [4] conguration
18
Validation against experimental data
Numerical setup:
Diusion models:
Full transport: Full transport equations for mixture-average
diusion with Le
i
= const. = Le and radiation
Le = 1: Full transport equations with Le
i
= Le = 1 and
radiation
Original: alternateReactingFoam with Sc = /D
m,i
= 1,
no Soret/Dufour eects and no radiation
Chemical Mechanism: GRI-Mech 1.2
19
Validation against experimental data
Results:
Temperature proles on centerline
20
Validation against experimental data
Results:
OH mole fraction proles on centerline
21
Validation against experimental data
Comparison of maximum centerline temperature T
max,C
, ame
height H
T
, ame height H
OH
:
Source T
max,C
H
T
H
OH
[K] [cm] [cm]
=
Experimental by Bennett et. al. [4] 1960 5.7 5.9
CFD by Bennett et. al. [4] 1868 8.0 8.2
CFD by Claramunt et. al. [5] 1908 5.9 6.1
lamReactingFoam 1928 5.7 6.0
= 2.464
Experimental by Bennett et. al. [4] 2090 3.8 4.2
CFD by Bennett et. al. [4] 1999 3.4 3.8
CFD by Claramunt et. al. [5] 2030 4.0 4.5
lamReactingFoam 2042 3.9 4.3
22
Contents
1
Introduction
2
Theoretical background
3
Validation
4
Flamelet results
5
Conclusions
23
Flamelet results
Scope:
Compare dierent radial proles of CFD-calculation of
lamReactingFoam with results produced by an inhouse amelet
code
Verication for using the amelet model in OpenFOAM
R
More details of the coupling between FLUTs and
OpenFOAM
R
is given in talk A CFD-Flamelet model based
time scale analysis of multi-feed stream in a high pressure
gasier in the next session [6]
24
Flamelet results
Set up:
Bennett-ame conguration [4]
Diusion models:
Unity Lewis-Number Le
i
= Le = 1
Non-unity constant Lewis-Number Le
i
= const. = Le
Flamelet calculations:
Full am.: Full set of amelet equations
Simple am.: Simplied set of amelet equations
Analytical approach for proles of scalar dissipation rate
CFD: lamReactingFoam
Chemical mechanism: GRI-Mech 1.2
No radiation
25
Flamelet results
Unity Lewis-Number Le
i
= Le = 1
CO
2
mass fraction and temperature T as functions of Z
26
Flamelet results
Non-unity constant Lewis-Number Le
i
= const. = Le
CO
2
mass fraction and temperature T as functions of Z
27
Contents
1
Introduction
2
Theoretical background
3
Validation
4
Flamelet results
5
Conclusions
28
Conclusions
Full laminar diusion transport equations in OpenFOAM 1.5
successfully implemented
Verication of corresponding diusion methods in OpenFOAM
1.5 with Fluent 12.0 and Cantera 1.8
CFD improvement compared to published num. results for
Bennett-ame [4]
Flamelet results in good agreement with full transport solutions
29
Acknowledgement
The results described above were obtained
in the research project HotVeGas.
The project was supported with public funding by the
German Federal Ministry of Economics and Technology
(Project ID 0327773B)
This research has been also funded by the
German Federal Ministry of Education and Research in the
framework of Virtuhcon
(Project ID 040201030)
30
Literatur I
[1] W. L. Grosshandler.
RADCAL: A Narrow-Band Model for Radiation Calculations in
a Combustion Environment.
Technical report, NIST technical note 1402, 1993.
[2] J. Keller.
Inuence of molecular diusion ux modeling on the structure
of non-premixed and partially premixed ames.
Masters thesis, TU Bergakademie, 2011.
[3] Gschaider B., Rehm M., Seifert P., Meyer B.
Implementation of an alternative chemistry library into
openfoam.
In Open Source CFD International Conference 2008, Berlin,
2008.
31
Literatur II
[4] B. A. V. Bennett, C.S. McEnally, L. D. Pfeerle, M.D. Smooke.
Computational and Experimental Study of Axisymmetric Coow
Partially Premixed Methane/Air Flames.
Combustion and Flame, 123:522546, 2000.
[5] K. Claramunt, R. Consul, C. D. Prez-Segarra and A. Oliva.
Multidimensional mathematical modeling and numerical
investigation of co-ow partially premixed methane/air laminar
ames.
Combustion and Flame, 137:444457, 2004.
[6] Vegendla P., Weise S., Messig D., Hasse C.
A CFD-Flamelet model based time scale analysis of multi-feed
stream in a high pressure gasier.
In 6th OpenFOAM Workshop, 2011.
32