gri-belhi and eReactingFoam settings

Conflicts:
	job.mpi

0.org/CH4

@@ -11,7 +11,7 @@ FoamFile
     format          ascii;
     class           volScalarField;
     location        "0";
-    object          C3H8;
+    object          CH4;
 }
 
 dimensions      [ 0 0 0 0 0 0 0 ];
@@ -23,13 +23,31 @@ boundaryField
     nzLow
     {
         type            fixedValue;
-        value           uniform 0.5;
+        value           uniform 0.14046;
     }
     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;
@@ -48,22 +66,6 @@ boundaryField
     {
         type            empty;
     }
-    walls
-    {
-        type            zeroGradient;
-    }
-    coLow
-    {
-        type            inletOutlet;
-        inletValue      uniform 0;
-        value           uniform 0;
-    }
-    coUpp
-    {
-        type            inletOutlet;
-        inletValue      uniform 0;
-        value           uniform 0;
-    }
 }
 
 

0.org/N2

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

0.org/O2

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

0.org/T

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

0.org/U

@@ -23,12 +23,30 @@ boundaryField
     nzLow
     {
         type            fixedValue;
-        value           uniform ( 0.0 0.5 0 );
+        value           uniform ( 0.0 0.2 0 );
     }
     nzUpp
     {
         type            fixedValue;
-        value           uniform ( 0 -0.5 0 );
+        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;
     }
     outlet
     {
@@ -47,20 +65,6 @@ boundaryField
     {
         type            empty;
     }
-    walls
-    {
-        type            slip;
-    }
-    coLow
-    {
-        type            pressureInletOutletVelocity;
-        value           uniform ( 0 0 0 );
-    }
-    coUpp
-    {
-        type            pressureInletOutletVelocity;
-        value           uniform ( 0 0 0 );
-    }
 }
 
 

0.org/Ydefault

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

0.org/alphat

@@ -30,6 +30,24 @@ 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;
@@ -46,18 +64,6 @@ boundaryField
     {
         type            empty;
     }
-    walls
-    {
-        type            zeroGradient;
-    }
-    coLow
-    {
-        type            zeroGradient;
-    }
-    coUpp
-    {
-        type            zeroGradient;
-    }
 }
 
 

0.org/p

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

constant/methane-1step/reactions

@@ -0,0 +1,20 @@
+species
+(
+    O2
+    H2O
+    CH4
+    CO2
+    N2
+);
+
+reactions
+{
+    methaneReaction
+    {
+        type     irreversibleArrheniusReaction;
+        reaction "CH4 + 2O2 = CO2 + 2H2O";
+        A        5.2e16;
+        beta     0;
+        Ta       14906;
+    }
+}

constant/methane-1step/thermo.compressibleGas

@@ -0,0 +1,129 @@
+/*--------------------------------*- 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;
+    }
+}
+
+
+// ************************************************************************* //

constant/polyMesh/blockMeshDict

@@ -18,33 +18,39 @@ convertToMeters 1e-3; // 1 m / 1000 mm
 
 vertices
 (
-(  0.0000000000000e+00 -7.5000000000000e+00 -0.0000000000000e+00 ) // 0
+(  0.0000000000000e+00 -5.0000000000000e+00 -0.0000000000000e+00 ) // 0
-(  7.4997144229813e+00 -7.5000000000000e+00 -6.5449016237805e-02 ) // 1
+(  4.9998096153209e+00 -5.0000000000000e+00 -4.3632677491870e-02 ) // 1
-(  7.4997144229813e+00  7.5000000000000e+00 -6.5449016237805e-02 ) // 2
+(  4.9998096153209e+00  5.0000000000000e+00 -4.3632677491870e-02 ) // 2
-(  0.0000000000000e+00  7.5000000000000e+00 -0.0000000000000e+00 ) // 3
+(  0.0000000000000e+00  5.0000000000000e+00 -0.0000000000000e+00 ) // 3
-(  7.4997144229813e+00 -7.5000000000000e+00  6.5449016237805e-02 ) // 4
+(  4.9998096153209e+00 -5.0000000000000e+00  4.3632677491870e-02 ) // 4
-(  7.4997144229813e+00  7.5000000000000e+00  6.5449016237805e-02 ) // 5
+(  4.9998096153209e+00  5.0000000000000e+00  4.3632677491870e-02 ) // 5
-(  7.4997144229813e+00 -7.5000000000000e+00 -6.5449016237805e-02 ) // 6
+(  4.9998096153209e+00 -5.0000000000000e+00 -4.3632677491870e-02 ) // 6
-(  3.9998476922567e+01 -7.5000000000000e+00 -3.4906141993496e-01 ) // 7
+(  9.9996192306417e+00 -5.0000000000000e+00 -8.7265354983739e-02 ) // 7
-(  3.9998476922567e+01  7.5000000000000e+00 -3.4906141993496e-01 ) // 8
+(  9.9996192306417e+00  5.0000000000000e+00 -8.7265354983739e-02 ) // 8
-(  7.4997144229813e+00  7.5000000000000e+00 -6.5449016237805e-02 ) // 9
+(  4.9998096153209e+00  5.0000000000000e+00 -4.3632677491870e-02 ) // 9
-(  7.4997144229813e+00 -7.5000000000000e+00  6.5449016237805e-02 ) // 10
+(  4.9998096153209e+00 -5.0000000000000e+00  4.3632677491870e-02 ) // 10
-(  3.9998476922567e+01 -7.5000000000000e+00  3.4906141993496e-01 ) // 11
+(  9.9996192306417e+00 -5.0000000000000e+00  8.7265354983739e-02 ) // 11
-(  3.9998476922567e+01  7.5000000000000e+00  3.4906141993496e-01 ) // 12
+(  9.9996192306417e+00  5.0000000000000e+00  8.7265354983739e-02 ) // 12
-(  7.4997144229813e+00  7.5000000000000e+00  6.5449016237805e-02 ) // 13
+(  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
 )
 ;
 
 blocks
 (
- hex ( 0 1 2 3 0 4 5 3 ) ( 75 150 1 ) simpleGrading ( 1 1 1 ) // inner
+ 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 ) ( 325 150 1 ) simpleGrading ( 1 1 1 ) // outer
+ 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
 )
 ;
 
-
-
-
 edges
 (
 );
@@ -72,7 +78,7 @@ boundary
         type patch;
         faces
         (
-         ( 6  7 11 10) // outer down
+         ( 6  7 11 10) // coflow down
         );
     }
     coUpp
@@ -80,7 +86,23 @@ boundary
         type patch;
         faces
         (
-         ( 8  9 13 12) // outer up
+         ( 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
         );
     }
     outlet
@@ -88,7 +110,7 @@ boundary
         type patch;
         faces
         (
-         ( 7  8 12 11) // outer right
+         (15 16 20 19) // outer right
         );
     }
     front
@@ -97,7 +119,8 @@ boundary
         faces
         (
          (0 4 5 3) // inner front
-         (10 11 12 13) // outer front
+         (10 11 12 13) // coflow front
+         (18 19 20 21) // outer front
         );
     }
     back
@@ -106,7 +129,8 @@ boundary
         faces
         (
          (0 3 2 1) // inner back
-         (6 9 8 7) // outer back
+         (6 9 8 7) // coflow back
+         (14 17 16 15) // outer back
         );
     }
     axis
@@ -122,7 +146,7 @@ boundary
         type empty;
         faces
         (
-    (1 2 5 4) // inner right
+         (1 2 5 4) // inner right
         );
     }
     dummy2
@@ -130,7 +154,23 @@ boundary
         type empty;
         faces
         (
-    ( 9  6 10 13) // outer left
+         ( 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
         );
     }
 );
@@ -138,6 +178,7 @@ boundary
 mergePatchPairs
 (
   (dummy1 dummy2)
+  (dummy3 dummy4)
 );
 
 // ************************************************************************* //

constant/thermophysicalProperties

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

job.mpi

@@ -1,12 +1,12 @@
 #!/bin/bash
 
-#SBATCH -J uae_2step          # Job name
+#SBATCH -J 050ch4-0.0kV       # 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=16
+#SBATCH --ntasks-per-node=20
 #SBATCH --mail-user=ignis@postech.ac.kr
 #SBATCH --mail-type=ALL
 
 # Launch MPI-based executable
 
-mpirun reactingFoam -parallel
+mpirun eReactingFoam -parallel

system/controlDict

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

system/decomposeParDict

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

system/fvOptions

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