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17 changed files with 302 additions and 2413 deletions
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38
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 ];
@ -23,31 +23,13 @@ boundaryField
nzLow
{
type fixedValue;
value uniform 0.14046;
value uniform 0.5;
}
nzUpp
{
type fixedValue;
value uniform 0;
}
coLow
{
type fixedValue;
value uniform 0;
}
coUpp
{
type fixedValue;
value uniform 0;
}
waLow
{
type zeroGradient;
}
waUpp
{
type zeroGradient;
}
outlet
{
type inletOutlet;
@ -66,6 +48,22 @@ boundaryField
{
type empty;
}
walls
{
type zeroGradient;
}
coLow
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
coUpp
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
}

38
0.org/N2
View file

@ -23,30 +23,12 @@ boundaryField
nzLow
{
type fixedValue;
value uniform 0.85954;
value uniform 0.5;
}
nzUpp
{
type fixedValue;
value uniform 0.440011;
}
coLow
{
type fixedValue;
value uniform 1;
}
coUpp
{
type fixedValue;
value uniform 1;
}
waLow
{
type zeroGradient;
}
waUpp
{
type zeroGradient;
value uniform 0.77;
}
outlet
{
@ -66,6 +48,22 @@ boundaryField
{
type empty;
}
walls
{
type zeroGradient;
}
coLow
{
type inletOutlet;
inletValue uniform 1;
value uniform 1;
}
coUpp
{
type inletOutlet;
inletValue uniform 1;
value uniform 1;
}
}

36
0.org/O2
View file

@ -28,25 +28,7 @@ boundaryField
nzUpp
{
type fixedValue;
value uniform 0.559989;
}
coLow
{
type fixedValue;
value uniform 0;
}
coUpp
{
type fixedValue;
value uniform 0;
}
waLow
{
type zeroGradient;
}
waUpp
{
type zeroGradient;
value uniform 0.23;
}
outlet
{
@ -66,6 +48,22 @@ boundaryField
{
type empty;
}
walls
{
type zeroGradient;
}
coLow
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
coUpp
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
}

36
0.org/T
View file

@ -16,7 +16,7 @@ FoamFile
dimensions [ 0 0 0 1 0 0 0 ];
internalField uniform 300;
internalField uniform 1200;
boundaryField
{
@ -30,24 +30,6 @@ boundaryField
type fixedValue;
value uniform 300;
}
coLow
{
type fixedValue;
value uniform 300;
}
coUpp
{
type fixedValue;
value uniform 300;
}
waLow
{
type zeroGradient;
}
waUpp
{
type zeroGradient;
}
outlet
{
type inletOutlet;
@ -66,6 +48,22 @@ boundaryField
{
type empty;
}
walls
{
type zeroGradient;
}
coLow
{
type inletOutlet;
inletValue uniform 300;
value uniform 300;
}
coUpp
{
type inletOutlet;
inletValue uniform 300;
value uniform 300;
}
}

36
0.org/U
View file

@ -23,30 +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 );
}
coLow
{
type fixedValue;
value uniform ( 0.0 0.2 0 );
}
coUpp
{
type fixedValue;
value uniform ( 0 -0.2 0 );
}
waLow
{
type slip;
}
waUpp
{
type slip;
value uniform ( 0 -0.5 0 );
}
outlet
{
@ -65,6 +47,20 @@ boundaryField
{
type empty;
}
walls
{
type slip;
}
coLow
{
type pressureInletOutletVelocity;
value uniform ( 0 0 0 );
}
coUpp
{
type pressureInletOutletVelocity;
value uniform ( 0 0 0 );
}
}

34
0.org/Ydefault
View file

@ -30,24 +30,6 @@ boundaryField
type fixedValue;
value uniform 0;
}
coLow
{
type fixedValue;
value uniform 0;
}
coUpp
{
type fixedValue;
value uniform 0;
}
waLow
{
type zeroGradient;
}
waUpp
{
type zeroGradient;
}
outlet
{
type inletOutlet;
@ -66,6 +48,22 @@ boundaryField
{
type empty;
}
walls
{
type zeroGradient;
}
coLow
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
coUpp
{
type inletOutlet;
inletValue uniform 0;
value uniform 0;
}
}

30
0.org/alphat
View file

@ -30,24 +30,6 @@ boundaryField
type fixedValue;
value uniform 0;
}
coLow
{
type fixedValue;
value uniform 0;
}
coUpp
{
type fixedValue;
value uniform 0;
}
waLow
{
type zeroGradient;
}
waUpp
{
type zeroGradient;
}
outlet
{
type zeroGradient;
@ -64,6 +46,18 @@ boundaryField
{
type empty;
}
walls
{
type zeroGradient;
}
coLow
{
type zeroGradient;
}
coUpp
{
type zeroGradient;
}
}

38
0.org/p
View file

@ -28,22 +28,6 @@ boundaryField
{
type zeroGradient;
}
coLow
{
type zeroGradient;
}
coUpp
{
type zeroGradient;
}
waLow
{
type zeroGradient;
}
waUpp
{
type zeroGradient;
}
outlet
{
type totalPressure;
@ -65,6 +49,28 @@ boundaryField
{
type empty;
}
walls
{
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;
}
}

2148
cantera-transport.cti
View file

File diff suppressed because it is too large Load diff

20
constant/methane-1step/reactions
View file

@ -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;
}
}
// ************************************************************************* //

93
constant/polyMesh/blockMeshDict
View file

@ -18,39 +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
( 9.9996192306417e+00 -5.0000000000000e+00 -8.7265354983739e-02 ) // 7
( 9.9996192306417e+00 5.0000000000000e+00 -8.7265354983739e-02 ) // 8
( 4.9998096153209e+00 5.0000000000000e+00 -4.3632677491870e-02 ) // 9
( 4.9998096153209e+00 -5.0000000000000e+00 4.3632677491870e-02 ) // 10
( 9.9996192306417e+00 -5.0000000000000e+00 8.7265354983739e-02 ) // 11
( 9.9996192306417e+00 5.0000000000000e+00 8.7265354983739e-02 ) // 12
( 4.9998096153209e+00 5.0000000000000e+00 4.3632677491870e-02 ) // 13
( 9.9996192306417e+00 -5.0000000000000e+00 -8.7265354983739e-02 ) // 14
( 3.9998476922567e+01 -5.0000000000000e+00 -3.4906141993496e-01 ) // 15
( 3.9998476922567e+01 5.0000000000000e+00 -3.4906141993496e-01 ) // 16
( 9.9996192306417e+00 5.0000000000000e+00 -8.7265354983739e-02 ) // 17
( 9.9996192306417e+00 -5.0000000000000e+00 8.7265354983739e-02 ) // 18
( 3.9998476922567e+01 -5.0000000000000e+00 3.4906141993496e-01 ) // 19
( 3.9998476922567e+01 5.0000000000000e+00 3.4906141993496e-01 ) // 20
( 9.9996192306417e+00 5.0000000000000e+00 8.7265354983739e-02 ) // 21
( 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 ) ( 50 100 1 ) simpleGrading ( 1 1 1 ) // coflow
hex ( 14 15 16 17 18 19 20 21 ) ( 300 100 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
(
);
@ -78,7 +72,7 @@ boundary
type patch;
faces
(
( 6 7 11 10) // coflow down
( 6 7 11 10) // outer down
);
}
coUpp
@ -86,23 +80,7 @@ boundary
type patch;
faces
(
( 8 9 13 12) // coflow up
);
}
waLow
{
type patch;
faces
(
(14 15 19 18) // outer down
);
}
waUpp
{
type patch;
faces
(
(16 17 21 20) // outer up
( 8 9 13 12) // outer up
);
}
outlet
@ -110,7 +88,7 @@ boundary
type patch;
faces
(
(15 16 20 19) // outer right
( 7 8 12 11) // outer right
);
}
front
@ -119,8 +97,7 @@ boundary
faces
(
(0 4 5 3) // inner front
(10 11 12 13) // coflow front
(18 19 20 21) // outer front
(10 11 12 13) // outer front
);
}
back
@ -129,8 +106,7 @@ boundary
faces
(
(0 3 2 1) // inner back
(6 9 8 7) // coflow back
(14 17 16 15) // outer back
(6 9 8 7) // outer back
);
}
axis
@ -146,7 +122,7 @@ boundary
type empty;
faces
(
(1 2 5 4) // inner right
(1 2 5 4) // inner right
);
}
dummy2
@ -154,23 +130,7 @@ boundary
type empty;
faces
(
( 9 6 10 13) // coflow left
);
}
dummy3
{
type empty;
faces
(
( 7 8 12 11) // coflow right
);
}
dummy4
{
type empty;
faces
(
(17 14 18 21) // outer left
( 9 6 10 13) // outer left
);
}
);
@ -178,7 +138,6 @@ boundary
mergePatchPairs
(
(dummy1 dummy2)
(dummy3 dummy4)
);
// ************************************************************************* //

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";
// ************************************************************************* //

6
job.mpi
View file

@ -1,12 +1,12 @@
#!/bin/bash
#SBATCH -J 050ch4-0.0kV # Job name
#SBATCH -J uae_2step # Job name
#SBATCH -o job.%j.out # Name of stdout output file (%j expands to jobId)
#SBATCH -n 80 # Total number of mpi tasks requested
#SBATCH --ntasks-per-node=20
#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

15
system/controlDict
View file

@ -17,19 +17,19 @@ FoamFile
application reactingFoam;
startFrom startTime; // latestTime; //
startFrom latestTime; // startTime; //
startTime 0;
stopAt endTime; // noWriteNow; // nextWrite; // writeNow; //
stopAt noWriteNow; // nextWrite; // writeNow; // endTime; //
endTime 0.5;
endTime 1.0;
deltaT 1.0e-6;
writeControl adjustableRunTime; // clockTime; // timeStep; //
writeInterval 1000; // 10000; // 0.05; // 0.000078; //3600; //
writeInterval 0.1; // 0.000078; //3600; // 400; // 10000; //
purgeWrite 0;
@ -39,13 +39,13 @@ secondaryWriteControl timeStep; //clockTime; //
secondaryWriteInterval 501; // 3600; //
secondaryPurgeWrite 1;
*/
secondaryWriteControl clockTime; // timeStep; //
secondaryWriteInterval 3000; // 1;
secondaryWriteInterval 600; // 1;
secondaryPurgeWrite 2;
*/
writeFormat ascii;
@ -59,7 +59,7 @@ timePrecision 8;
runTimeModifiable true;
adjustTimeStep no;
adjustTimeStep yes;
maxCo 0.4;
@ -85,7 +85,6 @@ functions
fields
(
p
Phi
);
}
}

4
system/decomposeParDict
View file

@ -15,7 +15,7 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 100;
numberOfSubdomains 80;
// method manual;
method simple;
@ -24,7 +24,7 @@ method simple;
simpleCoeffs
{
// n ( 4 5 1 );
n ( 100 1 1 );
n ( 80 1 1 );
delta 0.001;
}

10
system/fvOptions
View file

@ -18,7 +18,7 @@ FoamFile
source1
{
type fixedTemperatureConstraint;
active false;
active true;
timeStart 0.0;
duration 0.1;
selectionMode cellSet;
@ -27,13 +27,7 @@ source1
fixedTemperatureConstraintCoeffs
{
mode uniform;
temperature table
2
(
(0 300)
(0.01 2000)
)
;
temperature 2200;
}
}