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base: research:kaust-ch4-050-neg2.4kV
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research:master
research:kaust-ch4-050-coflow-prager
research:kaust-ch4-050-coflow-1step
research:kaust-ch4-050-neg2.4kV
research:kaust-ch4-050-1step
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compare: research:master
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research:kaust-ch4-050-coflow-prager
research:kaust-ch4-050-coflow-1step
research:kaust-ch4-050-neg2.4kV
research:kaust-ch4-050-1step
research:master

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kaust-ch4- ... master

174 changed files with 167 additions and 6681077 deletions
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4
0.org/CH4 → 0.org/C3H8
View file

@ -11,7 +11,7 @@ FoamFile
format ascii;
class volScalarField;
location "0";
object CH4;
object C3H8;
}
dimensions [ 0 0 0 0 0 0 0 ];
@ -23,7 +23,7 @@ boundaryField
nzLow
{
type fixedValue;
value uniform 0.14046;
value uniform 0.5;
}
nzUpp
{

4
0.org/N2
View file

@ -23,12 +23,12 @@ boundaryField
nzLow
{
type fixedValue;
value uniform 0.85954;
value uniform 0.5;
}
nzUpp
{
type fixedValue;
value uniform 0.440011;
value uniform 0.77;
}
outlet
{

2
0.org/O2
View file

@ -28,7 +28,7 @@ boundaryField
nzUpp
{
type fixedValue;
value uniform 0.559989;
value uniform 0.23;
}
outlet
{

4
0.org/U
View file

@ -23,12 +23,12 @@ boundaryField
nzLow
{
type fixedValue;
value uniform ( 0.0 0.2 0 );
value uniform ( 0.0 0.5 0 );
}
nzUpp
{
type fixedValue;
value uniform ( 0 -0.2 0 );
value uniform ( 0 -0.5 0 );
}
outlet
{

2148
cantera-transport.cti
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20
constant/methane-1step/reactions
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@ -1,20 +0,0 @@
species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
methaneReaction
{
type irreversibleArrheniusReaction;
reaction "CH4 + 2O2 = CO2 + 2H2O";
A 5.2e16;
beta 0;
Ta 14906;
}
}

129
constant/methane-1step/thermo.compressibleGas
View file

@ -1,129 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.4.0 |
| \\ / 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;
}
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;
}
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;
}
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;
}
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;
}
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;
}
}
// ************************************************************************* //

35
constant/polyMesh/blockMeshDict
View file

@ -18,30 +18,33 @@ convertToMeters 1e-3; // 1 m / 1000 mm
vertices
(
( 0.0000000000000e+00 -5.0000000000000e+00 -0.0000000000000e+00 ) // 0
( 4.9998096153209e+00 -5.0000000000000e+00 -4.3632677491870e-02 ) // 1
( 4.9998096153209e+00 5.0000000000000e+00 -4.3632677491870e-02 ) // 2
( 0.0000000000000e+00 5.0000000000000e+00 -0.0000000000000e+00 ) // 3
( 4.9998096153209e+00 -5.0000000000000e+00 4.3632677491870e-02 ) // 4
( 4.9998096153209e+00 5.0000000000000e+00 4.3632677491870e-02 ) // 5
( 4.9998096153209e+00 -5.0000000000000e+00 -4.3632677491870e-02 ) // 6
( 3.9998476922567e+01 -5.0000000000000e+00 -3.4906141993496e-01 ) // 7
( 3.9998476922567e+01 5.0000000000000e+00 -3.4906141993496e-01 ) // 8
( 4.9998096153209e+00 5.0000000000000e+00 -4.3632677491870e-02 ) // 9
( 4.9998096153209e+00 -5.0000000000000e+00 4.3632677491870e-02 ) // 10
( 3.9998476922567e+01 -5.0000000000000e+00 3.4906141993496e-01 ) // 11
( 3.9998476922567e+01 5.0000000000000e+00 3.4906141993496e-01 ) // 12
( 4.9998096153209e+00 5.0000000000000e+00 4.3632677491870e-02 ) // 13
( 0.0000000000000e+00 -7.5000000000000e+00 -0.0000000000000e+00 ) // 0
( 7.4997144229813e+00 -7.5000000000000e+00 -6.5449016237805e-02 ) // 1
( 7.4997144229813e+00 7.5000000000000e+00 -6.5449016237805e-02 ) // 2
( 0.0000000000000e+00 7.5000000000000e+00 -0.0000000000000e+00 ) // 3
( 7.4997144229813e+00 -7.5000000000000e+00 6.5449016237805e-02 ) // 4
( 7.4997144229813e+00 7.5000000000000e+00 6.5449016237805e-02 ) // 5
( 7.4997144229813e+00 -7.5000000000000e+00 -6.5449016237805e-02 ) // 6
( 3.9998476922567e+01 -7.5000000000000e+00 -3.4906141993496e-01 ) // 7
( 3.9998476922567e+01 7.5000000000000e+00 -3.4906141993496e-01 ) // 8
( 7.4997144229813e+00 7.5000000000000e+00 -6.5449016237805e-02 ) // 9
( 7.4997144229813e+00 -7.5000000000000e+00 6.5449016237805e-02 ) // 10
( 3.9998476922567e+01 -7.5000000000000e+00 3.4906141993496e-01 ) // 11
( 3.9998476922567e+01 7.5000000000000e+00 3.4906141993496e-01 ) // 12
( 7.4997144229813e+00 7.5000000000000e+00 6.5449016237805e-02 ) // 13
)
;
blocks
(
hex ( 0 1 2 3 0 4 5 3 ) ( 50 100 1 ) simpleGrading ( 1 1 1 ) // inner
hex ( 6 7 8 9 10 11 12 13 ) ( 350 100 1 ) simpleGrading ( 1 1 1 ) // outer
hex ( 0 1 2 3 0 4 5 3 ) ( 75 150 1 ) simpleGrading ( 1 1 1 ) // inner
hex ( 6 7 8 9 10 11 12 13 ) ( 325 150 1 ) simpleGrading ( 1 1 1 ) // outer
)
;
edges
(
);

4
constant/thermophysicalProperties
View file

@ -30,8 +30,8 @@ inertSpecie N2;
chemistryReader foamChemistryReader;
foamChemistryFile "$FOAM_CASE/constant/gri-belhi/grimech30.foam";
foamChemistryFile "$FOAM_CASE/constant/2step-be/reactions";
foamChemistryThermoFile "$FOAM_CASE/constant/gri-belhi/thermo30.foam";
foamChemistryThermoFile "$FOAM_CASE/constant/2step-be/thermo.compressibleGas";
// ************************************************************************* //

8
job.mpi
View file

@ -1,12 +1,12 @@
#!/bin/bash
#SBATCH -J 050ch4-2.4kV # Job name
#SBATCH -J uae_2step # Job name
#SBATCH -o job.%j.out # Name of stdout output file (%j expands to jobId)
#SBATCH -n 200 # Total number of mpi tasks requested
#SBATCH --ntasks-per-node=20
#SBATCH -n 80 # Total number of mpi tasks requested
#SBATCH --ntasks-per-node=16
#SBATCH --mail-user=ignis@postech.ac.kr
#SBATCH --mail-type=ALL
# Launch MPI-based executable
mpirun eReactingFoam -parallel
mpirun reactingFoam -parallel

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solution.1step/CH4
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solution.1step/CO2
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solution.1step/H2O
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solution.1step/N2
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solution.1step/O2
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solution.1step/T
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solution.1step/U
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70
solution.1step/Ydefault
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@ -1,70 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 4.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2;
format ascii;
class volScalarField;
location "0.0038885";
object H;
}
dimensions [ 0 0 0 0 0 0 0 ];
internalField uniform 0;
boundaryField
{
nzLow
{
type fixedValue;
value uniform 0;
}
nzUpp
{
type fixedValue;
value uniform 0;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
front
{
type wedge;
}
back
{
type wedge;
}
axis
{
type empty;
}
walls
{
type zeroGradient;
}
coLow
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
coUpp
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
}
// ************************************************************************* //

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solution.1step/dQ
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solution.1step/h
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solution.1step/p
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@ -1,70 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.4.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "1";
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 101325;
boundaryField
{
nzLow
{
type zeroGradient;
}
nzUpp
{
type zeroGradient;
}
coLow
{
type totalPressure;
rho none;
psi none;
gamma 1;
p0 uniform 101325;
value uniform 101325;
}
coUpp
{
type totalPressure;
rho none;
psi none;
gamma 1;
p0 uniform 101325;
value uniform 101325;
}
outlet
{
type totalPressure;
rho none;
psi none;
gamma 1;
p0 uniform 101325;
value uniform 101325;
}
front
{
type wedge;
}
back
{
type wedge;
}
}
// ************************************************************************* //

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solution.1step/phi
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solution.1step/qc
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@ -1,60 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.4.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "1";
object qc;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [-1 0 1 0 0 1 0];
internalField uniform 0;
boundaryField
{
nzLow
{
type calculated;
value uniform 0;
}
nzUpp
{
type calculated;
value uniform 0;
}
coLow
{
type calculated;
value uniform 0;
}
coUpp
{
type calculated;
value uniform 0;
}
outlet
{
type calculated;
value uniform 0;
}
front
{
type wedge;
}
back
{
type wedge;
}
}
// ************************************************************************* //

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solution.2400/AR
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@ -1,63 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.4.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0.25879";
object AR;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
nzLow
{
type fixedValue;
value uniform 0;
}
nzUpp
{
type fixedValue;
value uniform 0;
}
coLow
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
coUpp
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
outlet
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
front
{
type wedge;
}
back
{
type wedge;
}
}
// ************************************************************************* //

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solution.2400/CH3
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solution.2400/CH3CHO
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solution.2400/E-
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@ -1,59 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.4.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0.25879";
object E-;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 0 0 0 0];
internalField uniform 0;
boundaryField
{
nzLow
{
type fixedValue;
value uniform 0;
}
nzUpp
{
type fixedValue;
value uniform 0;
}
coLow
{
type fixedValue;
value uniform 0;
}
coUpp
{
type fixedValue;
value uniform 0;
}
outlet
{
type zeroGradient;
}
front
{
type wedge;
}
back
{
type wedge;
}
}
// ************************************************************************* //

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solution.2400/OH
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solution.2400/Uthermal
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solution.2400/p
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@ -1,70 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.4.x |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0.25879";
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -2 0 0 0 0];
internalField uniform 101325;
boundaryField
{
nzLow
{
type zeroGradient;
}
nzUpp
{
type zeroGradient;
}
coLow
{
type totalPressure;
rho none;
psi none;
gamma 1;
p0 uniform 101325;
value uniform 101325;
}
coUpp
{
type totalPressure;
rho none;
psi none;
gamma 1;
p0 uniform 101325;
value uniform 101325;
}
outlet
{
type totalPressure;
rho none;
psi none;
gamma 1;
p0 uniform 101325;
value uniform 101325;
}
front
{
type wedge;
}
back
{
type wedge;
}
}
// ************************************************************************* //

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solution.2400/phi
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solution.2400/rho
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