TDACChemistryModel: New chemistry model providing Tabulation of Dynamic Adaptive Chemistry

Provides efficient integration of complex laminar reaction chemistry,
combining the advantages of automatic dynamic specie and reaction
reduction with ISAT (in situ adaptive tabulation).  The advantages grow
as the complexity of the chemistry increases.

References:
    Contino, F., Jeanmart, H., Lucchini, T., & D’Errico, G. (2011).
    Coupling of in situ adaptive tabulation and dynamic adaptive chemistry:
    An effective method for solving combustion in engine simulations.
    Proceedings of the Combustion Institute, 33(2), 3057-3064.

    Contino, F., Lucchini, T., D'Errico, G., Duynslaegher, C.,
    Dias, V., & Jeanmart, H. (2012).
    Simulations of advanced combustion modes using detailed chemistry
    combined with tabulation and mechanism reduction techniques.
    SAE International Journal of Engines,
    5(2012-01-0145), 185-196.

    Contino, F., Foucher, F., Dagaut, P., Lucchini, T., D’Errico, G., &
    Mounaïm-Rousselle, C. (2013).
    Experimental and numerical analysis of nitric oxide effect on the
    ignition of iso-octane in a single cylinder HCCI engine.
    Combustion and Flame, 160(8), 1476-1483.

    Contino, F., Masurier, J. B., Foucher, F., Lucchini, T., D’Errico, G., &
    Dagaut, P. (2014).
    CFD simulations using the TDAC method to model iso-octane combustion
    for a large range of ozone seeding and temperature conditions
    in a single cylinder HCCI engine.
    Fuel, 137, 179-184.

Two tutorial cases are currently provided:
    + tutorials/combustion/chemFoam/ic8h18_TDAC
    + tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC

the first of which clearly demonstrates the advantage of dynamic
adaptive chemistry providing ~10x speedup,

the second demonstrates ISAT on the modest complex GRI mechanisms for
methane combustion, providing a speedup of ~4x.

More tutorials demonstrating TDAC on more complex mechanisms and cases
will be provided soon in addition to documentation for the operation and
settings of TDAC.  Also further updates to the TDAC code to improve
consistency and integration with the rest of OpenFOAM and further
optimize operation can be expected.

Original code providing all algorithms for chemistry reduction and
tabulation contributed by Francesco Contino, Tommaso Lucchini, Gianluca
D’Errico, Hervé Jeanmart, Nicolas Bourgeois and Stéphane Backaert.

Implementation updated, optimized and integrated into OpenFOAM-dev by
Henry G. Weller, CFD Direct Ltd with the help of Francesco Contino.
This commit is contained in:
Henry Weller
2016-07-17 15:13:54 +01:00
parent 2d54b1d42b
commit 1d57269680
125 changed files with 45393 additions and 185 deletions

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@ -0,0 +1,11 @@
#!/bin/sh
cd ${0%/*} || exit 1 # Run from this directory
# Source tutorial run functions
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
cleanCase
rm -rf 0 chemFoam.out validation/OF_vs_CHEMKINII.eps validation/chemkinII
#------------------------------------------------------------------------------

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@ -0,0 +1,14 @@
#!/bin/sh
cd ${0%/*} || exit 1 # Run from this directory
# Source tutorial run functions
. $WM_PROJECT_DIR/bin/tools/RunFunctions
# Set application name
application=`getApplication`
runApplication $application
(cd validation && ./Allrun $*)
#------------------------------------------------------------------------------

File diff suppressed because it is too large Load Diff

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@ -0,0 +1,13 @@
!SENS
CONP
PRES 50.00 ! atm
TEMP 800.0 ! K
TIME 1.E-2 ! sec
DELT 1.E-6 ! sec
REAC IC8H18 0.08
REAC O2 1.0
REAC N2 3.76
END
! c8h18 + x o2 -> 8 co2 + 9 h2o
! -> 9 + 16 = 25 -> 12.5
! 1/12.5 = 0.08

File diff suppressed because it is too large Load Diff

File diff suppressed because it is too large Load Diff

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@ -0,0 +1,27 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "chemkin";
object transportProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
".*"
{
transport
{
As 0;
Ts 0;
}
}
// ************************************************************************* //

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@ -0,0 +1,75 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
chemistryType
{
chemistrySolver ode;
chemistryThermo psi;
TDAC on;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-12;
relTol 1e-1;
}
reduction
{
active on;
// Switch logging of the reduction statistics and performance
log off;
// Tolerance depends on the reduction method, see details for each method
tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
IC8H18;
HO2;
}
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
automaticSIS off;
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
IC8H18 1;
}
}
// Tabulation is not effective for single-cell ignition calculations
tabulation
{
method none;
}
// ************************************************************************* //

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@ -0,0 +1,34 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object initialConditions;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
constantProperty pressure;
fractionBasis mole;
fractions
{
IC8H18 0.08;
N2 3.76;
O2 1;
}
p 5.06625e+06;
T 800;
// ************************************************************************* //

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@ -0,0 +1,33 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermophysicalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
thermoType
{
type hePsiThermo;
mixture reactingMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
equationOfState perfectGas;
specie specie;
}
CHEMKINFile "$FOAM_CASE/chemkin/chem.inp";
CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
// ************************************************************************* //

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@ -0,0 +1,55 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
application chemFoam;
startFrom startTime;
startTime 0;
stopAt endTime;
endTime 0.01;
deltaT 1e-07;
maxDeltaT 1e-05;
adjustTimeStep on;
writeControl adjustableRunTime;
writeInterval 5e-4;
purgeWrite 0;
writeFormat ascii;
writeCompression uncompressed;
timeFormat general;
timePrecision 6;
runTimeModifiable yes;
DebugSwitches
{
SolverPerformance 0;
}
// ************************************************************************* //

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@ -0,0 +1,32 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSchemes;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
ddtSchemes
{
default Euler;
}
gradSchemes
{}
divSchemes
{}
laplacianSchemes
{}
// ************************************************************************* //

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@ -0,0 +1,30 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSolution;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
solvers
{
Yi
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-12;
relTol 0;
}
}
// ************************************************************************* //

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@ -0,0 +1,14 @@
#!/bin/sh
cd ${0%/*} || exit 1 # Run from this directory
# Extract Chemkin II data into a friendlier format
echo "# Time [s] Temperature [K]" > chemkinII
grep '^ Time (sec)' ../chemkin/senk.out | awk '{print $4 " " $8 }' \
>> chemkinII
./createGraph
#------------------------------------------------------------------------------

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@ -0,0 +1,25 @@
#!/bin/sh
if ! which gnuplot > /dev/null 2>&1
then
echo "gnuplot not found - skipping graph creation" >&2
exit 1
fi
gnuplot<<EOF
set terminal postscript eps color enhanced "Helvetica,20"
set output "OF_vs_CHEMKINII.eps"
set xlabel "Time / [s]" font "Helvetica,24"
set ylabel "Temperature / [K]" font "Helvetica,24"
set grid
set key left top
set xrange [0:0.01]
set yrange [750:2750]
set ytic 250
plot \
"../chemFoam.out" u 1:2 t "OpenFOAM" with points lt 1 pt 6 ps 1.5,\
"chemkinII" with lines title "Chemkin II" lt -1
EOF
# ----------------------------------------------------------------- end-of-file

View File

@ -17,19 +17,19 @@ FoamFile
dimensions [0 0 0 1 0 0 0];
internalField uniform 293;
internalField uniform 2000;
boundaryField
{
fuel
{
type fixedValue;
value uniform 800;
value uniform 293;
}
air
{
type fixedValue;
value uniform 800;
value uniform 293;
}
outlet
{

View File

@ -11,7 +11,7 @@ FoamFile
format ascii;
class volScalarField;
location "0";
object O2;
object N2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

View File

@ -17,19 +17,19 @@ FoamFile
dimensions [0 0 0 1 0 0 0];
internalField uniform 293;
internalField uniform 2000;
boundaryField
{
fuel
{
type fixedValue;
value uniform 800;
value uniform 293;
}
air
{
type fixedValue;
value uniform 800;
value uniform 293;
}
outlet
{

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@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object CH4;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 1.0;
}
air
{
type fixedValue;
value uniform 0.0;
}
outlet
{
type inletOutlet;
inletValue uniform 0.0;
value uniform 0.0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object CO2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0;
}
air
{
type fixedValue;
value uniform 0;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object H2O;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0;
}
air
{
type fixedValue;
value uniform 0;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object N2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 1;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0.0;
}
air
{
type fixedValue;
value uniform 0.77;
}
outlet
{
type inletOutlet;
inletValue uniform 1;
value uniform 1;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object O2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0.0;
}
air
{
type fixedValue;
value uniform 0.23;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 2000;
boundaryField
{
fuel
{
type fixedValue;
value uniform 293;
}
air
{
type fixedValue;
value uniform 293;
}
outlet
{
type inletOutlet;
inletValue uniform 293;
value uniform 293;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,46 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
location "0";
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
fuel
{
type fixedValue;
value uniform (0.1 0 0);
}
air
{
type fixedValue;
value uniform (-0.1 0 0);
}
outlet
{
type pressureInletOutletVelocity;
value $internalField;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object Ydefault;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0.0;
}
air
{
type fixedValue;
value uniform 0.0;
}
outlet
{
type inletOutlet;
inletValue uniform 0.0;
value uniform 0.0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object alphat;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0;
}
air
{
type fixedValue;
value uniform 0;
}
outlet
{
type zeroGradient;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,44 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 1e5;
boundaryField
{
fuel
{
type zeroGradient;
}
air
{
type zeroGradient;
}
outlet
{
type totalPressure;
p0 $internalField;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

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@ -0,0 +1,35 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
chemistryType
{
chemistrySolver ode;
chemistryThermo psi;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-12;
relTol 1e-1;
}
// ************************************************************************* //

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@ -0,0 +1,27 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object combustionProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
combustionModel laminar<psiChemistryCombustion>;
active true;
laminarCoeffs
{
}
// ************************************************************************* //

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@ -0,0 +1,28 @@
elements
(
O
C
H
N
);
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
methaneReaction
{
type irreversibleArrheniusReaction;
reaction "CH4 + 2O2 = CO2 + 2H2O";
A 5.2e16;
beta 0;
Ta 14906;
}
}

View File

@ -0,0 +1,152 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 3.0.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.compressibleGas;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
O2
{
specie
{
nMoles 1;
molWeight 31.9988;
}
elements
{
O 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.69758 0.00061352 -1.25884e-07 1.77528e-11 -1.13644e-15 -1233.93 3.18917 );
lowCpCoeffs ( 3.21294 0.00112749 -5.75615e-07 1.31388e-09 -8.76855e-13 -1005.25 6.03474 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.0153;
}
elements
{
O 1;
H 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.67215 0.00305629 -8.73026e-07 1.201e-10 -6.39162e-15 -29899.2 6.86282 );
lowCpCoeffs ( 3.38684 0.00347498 -6.3547e-06 6.96858e-09 -2.50659e-12 -30208.1 2.59023 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
CH4
{
specie
{
nMoles 1;
molWeight 16.0428;
}
elements
{
C 1;
H 4;
}
thermodynamics
{
Tlow 200;
Thigh 6000;
Tcommon 1000;
highCpCoeffs ( 1.63543 0.0100844 -3.36924e-06 5.34973e-10 -3.15528e-14 -10005.6 9.9937 );
lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84744e-08 1.66694e-11 -10246.6 -4.64132 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.01;
}
elements
{
C 1;
O 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.45362 0.00314017 -1.27841e-06 2.394e-10 -1.66903e-14 -48967 -0.955396 );
lowCpCoeffs ( 2.27572 0.00992207 -1.04091e-05 6.86669e-09 -2.11728e-12 -48373.1 10.1885 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
N2
{
specie
{
nMoles 1;
molWeight 28.0134;
}
elements
{
N 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 );
lowCpCoeffs ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44486e-12 -1020.9 3.95037 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,36 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermophysicalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
thermoType
{
type hePsiThermo;
mixture reactingMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
equationOfState perfectGas;
specie specie;
}
inertSpecie N2;
chemistryReader foamChemistryReader;
foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
// ************************************************************************* //

View File

@ -0,0 +1,21 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object turbulenceProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
simulationType laminar;
// ************************************************************************* //

View File

@ -0,0 +1,82 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 1;
vertices
(
(0.0 -0.01 -0.01)
(0.02 -0.01 -0.01)
(0.02 0.01 -0.01)
(0.0 0.01 -0.01)
(0.0 -0.01 0.01)
(0.02 -0.01 0.01)
(0.02 0.01 0.01)
(0.0 0.01 0.01)
);
blocks
(
hex (0 1 2 3 4 5 6 7) (100 40 1) simpleGrading (1 1 1)
);
edges
(
);
boundary
(
fuel
{
type patch;
faces
(
(0 4 7 3)
);
}
air
{
type patch;
faces
(
(1 2 6 5)
);
}
outlet
{
type patch;
faces
(
(0 1 5 4)
(7 6 2 3)
);
}
frontAndBack
{
type empty;
faces
(
(4 5 6 7)
(0 3 2 1)
);
}
);
mergePatchPairs
(
);
// ************************************************************************* //

View File

@ -0,0 +1,53 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
application reactingFoam;
startFrom startTime;
startTime 0;
stopAt endTime;
endTime 0.5;
deltaT 1e-6;
writeControl adjustableRunTime;
writeInterval 0.05;
purgeWrite 0;
writeFormat ascii;
writePrecision 6;
writeCompression off;
timeFormat general;
timePrecision 6;
runTimeModifiable true;
adjustTimeStep yes;
maxCo 0.4;
// ************************************************************************* //

View File

@ -0,0 +1,29 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
note "mesh decomposition control dictionary";
object decomposeParDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 4;
method hierarchical;
hierarchicalCoeffs
{
n (2 2 1);
delta 0.001;
order xyz;
}
// ************************************************************************* //

View File

@ -0,0 +1,57 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSchemes;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
ddtSchemes
{
default Euler;
}
gradSchemes
{
default Gauss linear;
}
divSchemes
{
default none;
div(phi,U) Gauss limitedLinearV 1;
div(phi,Yi_h) Gauss limitedLinear 1;
div(phi,K) Gauss limitedLinear 1;
div(phid,p) Gauss limitedLinear 1;
div(phi,epsilon) Gauss limitedLinear 1;
div(phi,k) Gauss limitedLinear 1;
div(((rho*nuEff)*dev2(T(grad(U))))) Gauss linear;
}
laplacianSchemes
{
default Gauss linear orthogonal;
}
interpolationSchemes
{
default linear;
}
snGradSchemes
{
default orthogonal;
}
// ************************************************************************* //

View File

@ -0,0 +1,69 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSolution;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
solvers
{
"rho.*"
{
solver diagonal;
}
p
{
solver PCG;
preconditioner DIC;
tolerance 1e-6;
relTol 0.1;
}
pFinal
{
$p;
tolerance 1e-6;
relTol 0.0;
}
"(U|h|k|epsilon)"
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-6;
relTol 0.1;
}
"(U|h|k|epsilon)Final"
{
$U;
relTol 0;
}
Yi
{
$hFinal;
}
}
PIMPLE
{
momentumPredictor no;
nOuterCorrectors 1;
nCorrectors 2;
nNonOrthogonalCorrectors 0;
}
// ************************************************************************* //

View File

@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object CH4;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 1.0;
}
air
{
type fixedValue;
value uniform 0.0;
}
outlet
{
type inletOutlet;
inletValue uniform 0.0;
value uniform 0.0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object CO2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0;
}
air
{
type fixedValue;
value uniform 0;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object H2O;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0;
}
air
{
type fixedValue;
value uniform 0;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object N2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 1;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0;
}
air
{
type fixedValue;
value uniform 0.77;
}
outlet
{
type inletOutlet;
inletValue uniform 1;
value uniform 1;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object O2;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0.0;
}
air
{
type fixedValue;
value uniform 0.23;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 2000;
boundaryField
{
fuel
{
type fixedValue;
value uniform 293;
}
air
{
type fixedValue;
value uniform 293;
}
outlet
{
type inletOutlet;
inletValue uniform 293;
value uniform 293;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,46 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
location "0";
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
fuel
{
type fixedValue;
value uniform (0.1 0 0);
}
air
{
type fixedValue;
value uniform (-0.1 0 0);
}
outlet
{
type pressureInletOutletVelocity;
value $internalField;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,48 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object Ydefault;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0.0;
}
air
{
type fixedValue;
value uniform 0.0;
}
outlet
{
type inletOutlet;
inletValue uniform 0.0;
value uniform 0.0;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object alphat;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
fuel
{
type fixedValue;
value uniform 0;
}
air
{
type fixedValue;
value uniform 0;
}
outlet
{
type zeroGradient;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,44 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 1e5;
boundaryField
{
fuel
{
type zeroGradient;
}
air
{
type zeroGradient;
}
outlet
{
type totalPressure;
p0 $internalField;
}
frontAndBack
{
type empty;
}
}
// ************************************************************************* //

View File

@ -0,0 +1,134 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
chemistryType
{
chemistrySolver ode;
chemistryThermo psi;
TDAC on;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-12;
relTol 1e-1;
}
reduction
{
// Activate reduction
active on;
// Switch logging of the reduction statistics and performance
log on;
// Tolerance depends on the reduction method, see details for each method
tolerance 1e-4;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
automaticSIS off;
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1;
}
}
tabulation
{
// Activate tabulation
active on;
// Switch logging of the tabulation statistics and performance
log on;
printProportion off;
printNumRetrieve off;
// Tolerance used for retrieve and grow
tolerance 1e-4;
// ISAT is the only method currently available
method ISAT;
// Scale factors used in the definition of the ellipsoid of accuracy
scaleFactor
{
otherSpecies 1;
Temperature 2500;
Pressure 1e15;
}
// Maximum number of leafs stored in the binary tree
maxNLeafs 2000;
// Maximum life time of the leafs (in time steps) used in unsteady
// simulations to force renewal of the stored chemPoints and keep the tree
// small
chPMaxLifeTime 100;
// Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints
maxGrowth 10;
// Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it
checkEntireTreeInterval 5;
// Parameters used to decide whether to balance or not if the tree's depth
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
maxDepthFactor 2;
// Try to balance the tree only if the size of the tree is greater
minBalanceThreshold 30;
// Activate the use of a MRU (most recently used) list
MRURetrieve false;
// Maximum size of the MRU list
maxMRUSize 0;
// Allow to grow points
growPoints true;
// When mechanism reduction is used, new dimensions might be added
// maxNumNewDim set the maximum number of new dimensions added during a
// growth
maxNumNewDim 10;
}
// ************************************************************************* //

View File

@ -0,0 +1,127 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object chemistryProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
chemistryType
{
chemistrySolver ode;
chemistryThermo psi;
TDAC on;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-12;
relTol 1e-1;
}
reduction
{
active on; // Off by default
// Tolerance depends on the reduction method, see details for each method
tolerance 0.0001;
// Available methods: DRG, DAC, DRGEP, PFA, EFA
method DAC;
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
automaticSIS off;
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1.0;
}
}
tabulation
{
active on;
printProportion off;
printNumRetrieve off;
// Tolerance used for retrieve and grow
tolerance 1e-4;
// ISAT is the only method currently available
method ISAT;
// Scale factors used in the definition of the ellipsoid of accuracy
scaleFactor
{
otherSpecies 1.0;
Temperature 5E4;
Pressure 1E15;
}
// Maximum number of leafs stored in the binary tree
maxNLeafs 2000;
// Maximum life time of the leafs (in time steps) used in unsteady
// simulations to force renewal of the stored chemPoints and keep the tree
// small
chPMaxLifeTime 1;
// Maximum number of growth allowed on a chemPoint to avoid distorted
// chemPoints
maxGrowth 1;
// Number of time steps between analysis of the tree to remove old
// chemPoints or try to balance it
checkEntireTreeInterval 1;
// Parameters used to decide whether to balance or not if the tree's depth
// is larger than maxDepthFactor*log2(nLeafs) then balance the tree
maxDepthFactor 2;
// Try to balance the tree only if the size of the tree is greater
minBalanceThreshold 30;
// Activate the use of a MRU (most recently used) list
MRURetrieve false;
// Maximum size of the MRU list
maxMRUSize 0;
// Allow to grow points
growPoints true;
// When mechanism reduction is used, new dimensions might be added
// maxNumNewDim set the maximum number of new dimensions added during a
// growth
maxNumNewDim 1;
}
// ************************************************************************* //

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@ -0,0 +1,27 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object combustionProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
combustionModel laminar<psiChemistryCombustion>;
active true;
laminarCoeffs
{
}
// ************************************************************************* //

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@ -0,0 +1,28 @@
elements
(
O
C
H
N
);
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
methaneReaction
{
type irreversibleArrheniusReaction;
reaction "CH4 + 2O2 = CO2 + 2H2O";
A 5.2e16;
beta 0;
Ta 14906;
}
}

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@ -0,0 +1,152 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 3.0.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.compressibleGas;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
O2
{
specie
{
nMoles 1;
molWeight 31.9988;
}
elements
{
O 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.69758 0.00061352 -1.25884e-07 1.77528e-11 -1.13644e-15 -1233.93 3.18917 );
lowCpCoeffs ( 3.21294 0.00112749 -5.75615e-07 1.31388e-09 -8.76855e-13 -1005.25 6.03474 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.0153;
}
elements
{
O 1;
H 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.67215 0.00305629 -8.73026e-07 1.201e-10 -6.39162e-15 -29899.2 6.86282 );
lowCpCoeffs ( 3.38684 0.00347498 -6.3547e-06 6.96858e-09 -2.50659e-12 -30208.1 2.59023 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
CH4
{
specie
{
nMoles 1;
molWeight 16.0428;
}
elements
{
C 1;
H 4;
}
thermodynamics
{
Tlow 200;
Thigh 6000;
Tcommon 1000;
highCpCoeffs ( 1.63543 0.0100844 -3.36924e-06 5.34973e-10 -3.15528e-14 -10005.6 9.9937 );
lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84744e-08 1.66694e-11 -10246.6 -4.64132 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.01;
}
elements
{
C 1;
O 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.45362 0.00314017 -1.27841e-06 2.394e-10 -1.66903e-14 -48967 -0.955396 );
lowCpCoeffs ( 2.27572 0.00992207 -1.04091e-05 6.86669e-09 -2.11728e-12 -48373.1 10.1885 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
N2
{
specie
{
nMoles 1;
molWeight 28.0134;
}
elements
{
N 2;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 );
lowCpCoeffs ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44486e-12 -1020.9 3.95037 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
// ************************************************************************* //

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@ -0,0 +1,36 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermophysicalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
thermoType
{
type hePsiThermo;
mixture reactingMixture;
transport sutherland;
thermo janaf;
energy sensibleEnthalpy;
equationOfState perfectGas;
specie specie;
}
inertSpecie N2;
chemistryReader foamChemistryReader;
foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
// ************************************************************************* //

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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object turbulenceProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
simulationType laminar;
// ************************************************************************* //

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@ -0,0 +1,82 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 1;
vertices
(
(0.0 -0.01 -0.01)
(0.02 -0.01 -0.01)
(0.02 0.01 -0.01)
(0.0 0.01 -0.01)
(0.0 -0.01 0.01)
(0.02 -0.01 0.01)
(0.02 0.01 0.01)
(0.0 0.01 0.01)
);
blocks
(
hex (0 1 2 3 4 5 6 7) (100 40 1) simpleGrading (1 1 1)
);
edges
(
);
boundary
(
fuel
{
type patch;
faces
(
(0 4 7 3)
);
}
air
{
type patch;
faces
(
(1 2 6 5)
);
}
outlet
{
type patch;
faces
(
(0 1 5 4)
(7 6 2 3)
);
}
frontAndBack
{
type empty;
faces
(
(4 5 6 7)
(0 3 2 1)
);
}
);
mergePatchPairs
(
);
// ************************************************************************* //

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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
application reactingFoam;
startFrom startTime;
startTime 0;
stopAt endTime;
endTime 0.5;
deltaT 1e-6;
writeControl adjustableRunTime;
writeInterval 0.05;
purgeWrite 0;
writeFormat ascii;
writePrecision 6;
writeCompression off;
timeFormat general;
timePrecision 6;
runTimeModifiable true;
adjustTimeStep yes;
maxCo 0.4;
// ************************************************************************* //

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@ -0,0 +1,29 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
note "mesh decomposition control dictionary";
object decomposeParDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 4;
method hierarchical;
hierarchicalCoeffs
{
n (2 2 1);
delta 0.001;
order xyz;
}
// ************************************************************************* //

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@ -0,0 +1,57 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSchemes;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
ddtSchemes
{
default Euler;
}
gradSchemes
{
default Gauss linear;
}
divSchemes
{
default none;
div(phi,U) Gauss limitedLinearV 1;
div(phi,Yi_h) Gauss limitedLinear 1;
div(phi,K) Gauss limitedLinear 1;
div(phid,p) Gauss limitedLinear 1;
div(phi,epsilon) Gauss limitedLinear 1;
div(phi,k) Gauss limitedLinear 1;
div(((rho*nuEff)*dev2(T(grad(U))))) Gauss linear;
}
laplacianSchemes
{
default Gauss linear orthogonal;
}
interpolationSchemes
{
default linear;
}
snGradSchemes
{
default orthogonal;
}
// ************************************************************************* //

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@ -0,0 +1,69 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSolution;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
solvers
{
"rho.*"
{
solver diagonal;
}
p
{
solver PCG;
preconditioner DIC;
tolerance 1e-6;
relTol 0.1;
}
pFinal
{
$p;
tolerance 1e-6;
relTol 0.0;
}
"(U|h|k|epsilon)"
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-6;
relTol 0.1;
}
"(U|h|k|epsilon)Final"
{
$U;
relTol 0;
}
Yi
{
$hFinal;
}
}
PIMPLE
{
momentumPredictor no;
nOuterCorrectors 1;
nCorrectors 2;
nNonOrthogonalCorrectors 0;
}
// ************************************************************************* //