diff --git a/applications/solvers/dfLowMachFoam/dfLowMachFoam.C b/applications/solvers/dfLowMachFoam/dfLowMachFoam.C
index f00c7e88c..e92cf7053 100644
--- a/applications/solvers/dfLowMachFoam/dfLowMachFoam.C
+++ b/applications/solvers/dfLowMachFoam/dfLowMachFoam.C
@@ -149,7 +149,7 @@ int main(int argc, char *argv[])
end = std::clock();
time_monitor_flow += double(end - start) / double(CLOCKS_PER_SEC);
- if(combModelName!="ESF" && combModelName!="flareFGM" )
+ if(combModelName!="ESF" && combModelName!="flareFGM" && combModelName!="DeePFGM")
{
#include "YEqn.H"
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/G.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/G.gz
new file mode 100644
index 000000000..a075abd5e
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/G.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/He b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/He
new file mode 100644
index 000000000..88f68ca3a
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/He
@@ -0,0 +1,75 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 4.1 |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object c;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 2 -2 0 0 0 0];
+
+internalField uniform 1907;
+
+boundaryField
+{
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform -170863.69815950916;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 35298.7;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ inletCH4
+ {
+ type fixedValue;
+ value uniform -714081.00107;
+ }
+
+ axis
+ {
+ type empty;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+
+
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/N2 b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/N2
new file mode 100644
index 000000000..c33fac408
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/N2
@@ -0,0 +1,69 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object N2;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0.77;
+
+boundaryField
+{
+ inletCH4
+ {
+ type fixedValue;
+ value uniform 0.6473;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform 0.7342;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 0.77;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/T b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/T
new file mode 100644
index 000000000..f90678557
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/T
@@ -0,0 +1,69 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 1 0 0 0];
+
+internalField uniform 300;
+
+boundaryField
+{
+ inletCH4
+ {
+ type fixedValue;
+ value uniform 294;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform 1880;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 291;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/U.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/U.gz
new file mode 100644
index 000000000..eb990d607
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/U.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Ydefault.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Ydefault.gz
new file mode 100644
index 000000000..1982e123a
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Ydefault.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Z b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Z
new file mode 100644
index 000000000..988ab46be
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Z
@@ -0,0 +1,75 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 4.1 |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object Z;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform 0.042944785276073615;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ inletCH4
+ {
+ type fixedValue;
+ value uniform 0.1561;
+ }
+
+ axis
+ {
+ type empty;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+
+
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Zcvar b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Zcvar
new file mode 100644
index 000000000..1a21da4fb
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Zcvar
@@ -0,0 +1,74 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 4.1 |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object Zcvar;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ inletCH4
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ axis
+ {
+ type empty;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Zvar b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Zvar
new file mode 100644
index 000000000..ff0262da2
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/Zvar
@@ -0,0 +1,74 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 4.1 |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object Zvar;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ inletCH4
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ axis
+ {
+ type empty;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/alphat.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/alphat.gz
new file mode 100644
index 000000000..363e369b6
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/alphat.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/c b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/c
new file mode 100644
index 000000000..2017fc70b
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/c
@@ -0,0 +1,73 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 4.1 |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object c;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform 1;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ inletCH4
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ axis
+ {
+ type empty;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/cvar b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/cvar
new file mode 100644
index 000000000..5c0854aad
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/cvar
@@ -0,0 +1,75 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 4.1 |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object cvar;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ wallTube
+ {
+ type zeroGradient;
+ }
+
+ outlet
+ {
+ type zeroGradient;
+ }
+
+ inletPilot
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ inletAir
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ wallOutside
+ {
+ type zeroGradient;
+ }
+
+ inletCH4
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+
+ axis
+ {
+ type empty;
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ }
+ frontAndBack_neg
+ {
+ type wedge;
+ }
+
+
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/epsilon.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/epsilon.gz
new file mode 100644
index 000000000..8f25949fd
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/epsilon.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/k.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/k.gz
new file mode 100644
index 000000000..c07786222
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/k.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/nut.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/nut.gz
new file mode 100644
index 000000000..efdec743e
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/nut.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/p.gz b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/p.gz
new file mode 100644
index 000000000..75cef9487
Binary files /dev/null and b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/0/p.gz differ
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/Allclean b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/Allclean
new file mode 100644
index 000000000..2e800e728
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/Allclean
@@ -0,0 +1,10 @@
+#!/bin/sh
+cd ${0%/*} || exit 1 # Run from this directory
+
+# Source tutorial run functions
+. $WM_PROJECT_DIR/bin/tools/CleanFunctions
+
+cleanCase
+
+
+#------------------------------------------------------------------------------
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/Allrun b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/Allrun
new file mode 100644
index 000000000..f19aa16bb
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/Allrun
@@ -0,0 +1,21 @@
+#!/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 blockMesh
+
+runApplication decomposePar -force
+
+mpirun --oversubscribe -np 8 dfLowMachFoam -parallel
+
+./postProcess
+
+
+
+#------------------------------------------------------------------------------
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/ReadMe b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/ReadMe
new file mode 100644
index 000000000..c79dcdeb8
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/ReadMe
@@ -0,0 +1 @@
+The FGM table for testing case is avaliable at https://disk.pku.edu.cn:443/link/A87B4F5873160741AFB8C9856916B0BB.
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/CanteraTorchProperties b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/CanteraTorchProperties
new file mode 100644
index 000000000..33c9b5b58
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/CanteraTorchProperties
@@ -0,0 +1,77 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object CanteraTorchProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+chemistry off;
+
+CanteraMechanismFile "gri30.yaml";
+
+transportModel "Mix";
+
+odeCoeffs
+{
+ "relTol" 1e-8;
+ "absTol" 1e-10;
+}
+
+inertSpecie "N2";
+
+splittingStrategy off;
+
+TorchSettings
+{
+ torch off;
+ GPU off;
+ log off;
+ torchModel "";
+ coresPerNode 4;
+}
+
+loadbalancing
+{
+ active true;
+ log false;
+ algorithm allAverage;
+}
+
+combustionModel flareFGM;//PaSR,EDC
+
+EDCCoeffs
+{
+ version v2005;
+}
+
+PaSRCoeffs
+{
+ mixingScale
+ {
+ type globalScale;//globalScale,kolmogorovScale,geometriMeanScale,dynamicScale
+
+ globalScaleCoeffs
+ {
+ Cmix 0.01;
+ }
+ }
+ chemistryScale
+ {
+ type formationRate;//formationRate,globalConvertion
+ formationRateCoeffs
+ {}
+ }
+
+}
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/combustionProperties b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/combustionProperties
new file mode 100644
index 000000000..afde079b1
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/combustionProperties
@@ -0,0 +1,109 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object combustionProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+combustionModel DeePFGM;//PaSR;
+
+EDCCoeffs
+{
+ version v2005;
+}
+
+PaSRCoeffs
+{
+
+ mixingScale
+ {
+ type geometriMeanScale;//globalScale,kolmogorovScale,geometriMeanScale,dynamicScale
+
+ globalScaleCoeffs
+ {
+ Cmix 0.01;
+ }
+
+ dynamicScaleCoeffs
+ {
+ transportChi false;
+ Cd1 1.1;
+ Cd2 0.8;
+ Cp1 0.9;
+ Cp2 0.72;
+ }
+
+ }
+
+
+ chemistryScale
+ {
+ type formationRate;//formationRate,globalConvertion
+
+ globalConvertionCoeffs
+ {
+ fuel CH4;
+ oxidizer air;
+ }
+
+ formationRateCoeffs
+ {
+ }
+
+ }
+
+}
+
+
+flareFGMCoeffs
+{
+ buffer true;
+ scaledPV true;
+ combustion true;
+ ignition true;
+ solveEnthalpy false;
+ flameletT false;
+ relaxation false;
+ DpDt false;
+ ignBeginTime 0.2;
+ ignDurationTime 1e-4;
+ x0 0.0;
+ y0 0.0;
+ z0 0.005;
+ R0 0.004;
+ Sct 0.7;
+ bufferTime 0.4;
+ speciesName ("CO");
+}
+
+DeePFGMCoeffs
+{
+ buffer true;
+ scaledPV true;
+ combustion true;
+ ignition true;
+ solveEnthalpy false;
+ flameletT false;
+ relaxation false;
+ DpDt false;
+ ignBeginTime 0.2;
+ ignDurationTime 1e-4;
+ x0 0.0;
+ y0 0.0;
+ z0 0.005;
+ R0 0.004;
+ Sct 0.7;
+ bufferTime 0.4;
+ speciesName ("CO");
+}
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/combustionProperties.org b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/combustionProperties.org
new file mode 100644
index 000000000..13bf4db65
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/combustionProperties.org
@@ -0,0 +1,30 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object combustionProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+combustionModel EDC;
+
+EDCCoeffs
+{
+ version v2005;
+}
+
+PaSRCoeffs
+{
+ Cmix 0.03;
+}
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/g b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/g
new file mode 100644
index 000000000..113310120
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/g
@@ -0,0 +1,21 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class uniformDimensionedVectorField;
+ location "constant";
+ object g;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 1 -2 0 0 0 0];
+value (0 0 -9.81);
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/thermophysicalProperties b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/thermophysicalProperties
new file mode 100644
index 000000000..3940ea956
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/thermophysicalProperties
@@ -0,0 +1,47 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object thermophysicalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+thermoType
+{
+ type hePsiThermo;
+ mixture pureMixture;
+ transport const;
+ thermo eConst;
+ equationOfState perfectGas;
+ specie specie;
+ energy sensibleInternalEnergy;
+}
+
+mixture
+{
+ specie
+ {
+ molWeight 28.9;
+ }
+ thermodynamics
+ {
+ Cv 712;
+ Hf 0;
+ }
+ transport
+ {
+ mu 1.8e-05;
+ Pr 0.7;
+ }
+}
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/turbulenceProperties b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/turbulenceProperties
new file mode 100644
index 000000000..44a2ddc9b
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/constant/turbulenceProperties
@@ -0,0 +1,30 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object turbulenceProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+simulationType RAS;
+
+RAS
+{
+ RASModel RNGkEpsilon;
+
+ turbulence on;
+ printCoeffs on;
+
+ C1 1.52;
+}
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/gri30.yaml b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/gri30.yaml
new file mode 100644
index 000000000..4552751e1
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/gri30.yaml
@@ -0,0 +1,1227 @@
+description: |-
+ GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format
+ See README30 file at anonymous FTP site unix.sri.com, directory gri;
+ WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
+ through http://www.gri.org , under 'Basic Research',
+ for additional information, contacts, and disclaimer
+
+generator: ck2yaml
+input-files: [grimech30.dat, thermo30.dat, trans.dat]
+cantera-version: 2.6.0
+date: Wed, 14 Sep 2022 16:28:12 +0800
+
+units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol}
+
+phases:
+- name: gas
+ thermo: ideal-gas
+ elements: [O, H, C, N, Ar]
+ species: [H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2(S), CH3, CH4,
+ CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3, C2H4, C2H5,
+ C2H6, HCCO, CH2CO, HCCOH, N2, AR, C3H7, C3H8, CH2CHO, CH3CHO]
+ kinetics: gas
+ transport: mixture-averaged
+ state: {T: 300.0, P: 1 atm}
+
+species:
+- name: H2
+ composition: {H: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12,
+ -917.935173, 0.683010238]
+ - [3.3372792, -4.94024731e-05, 4.99456778e-07, -1.79566394e-10, 2.00255376e-14,
+ -950.158922, -3.20502331]
+ note: TPIS78
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 38.0
+ diameter: 2.92
+ polarizability: 0.79
+ rotational-relaxation: 280.0
+- name: H
+ composition: {H: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [2.5, 7.05332819e-13, -1.99591964e-15, 2.30081632e-18, -9.27732332e-22,
+ 2.54736599e+04, -0.446682853]
+ - [2.50000001, -2.30842973e-11, 1.61561948e-14, -4.73515235e-18, 4.98197357e-22,
+ 2.54736599e+04, -0.446682914]
+ note: L 7/88
+ transport:
+ model: gas
+ geometry: atom
+ well-depth: 145.0
+ diameter: 2.05
+- name: O
+ composition: {O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12,
+ 2.91222592e+04, 2.05193346]
+ - [2.56942078, -8.59741137e-05, 4.19484589e-08, -1.00177799e-11, 1.22833691e-15,
+ 2.92175791e+04, 4.78433864]
+ note: |-
+ L 1/90
+ GRI-Mech Version 3.0 Thermodynamics released 7/30/99
+ NASA Polynomial format for CHEMKIN-II
+ see README file for disclaimer
+ transport:
+ model: gas
+ geometry: atom
+ well-depth: 80.0
+ diameter: 2.75
+- name: O2
+ composition: {O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12,
+ -1063.94356, 3.65767573]
+ - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14,
+ -1088.45772, 5.45323129]
+ note: TPIS89
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 107.4
+ diameter: 3.458
+ polarizability: 1.6
+ rotational-relaxation: 3.8
+- name: OH
+ composition: {O: 1, H: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.99201543, -2.40131752e-03, 4.61793841e-06, -3.88113333e-09, 1.3641147e-12,
+ 3615.08056, -0.103925458]
+ - [3.09288767, 5.48429716e-04, 1.26505228e-07, -8.79461556e-11, 1.17412376e-14,
+ 3858.657, 4.4766961]
+ note: RUS 78
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 80.0
+ diameter: 2.75
+- name: H2O
+ composition: {H: 2, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12,
+ -3.02937267e+04, -0.849032208]
+ - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14,
+ -3.00042971e+04, 4.9667701]
+ note: L 8/89
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 572.4
+ diameter: 2.605
+ dipole: 1.844
+ rotational-relaxation: 4.0
+- name: HO2
+ composition: {H: 1, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.30179801, -4.74912051e-03, 2.11582891e-05, -2.42763894e-08, 9.29225124e-12,
+ 294.80804, 3.71666245]
+ - [4.0172109, 2.23982013e-03, -6.3365815e-07, 1.1424637e-10, -1.07908535e-14,
+ 111.856713, 3.78510215]
+ note: L 5/89
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 107.4
+ diameter: 3.458
+ rotational-relaxation: 1.0
+ note: '*'
+- name: H2O2
+ composition: {H: 2, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.27611269, -5.42822417e-04, 1.67335701e-05, -2.15770813e-08, 8.62454363e-12,
+ -1.77025821e+04, 3.43505074]
+ - [4.16500285, 4.90831694e-03, -1.90139225e-06, 3.71185986e-10, -2.87908305e-14,
+ -1.78617877e+04, 2.91615662]
+ note: L 7/88
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 107.4
+ diameter: 3.458
+ rotational-relaxation: 3.8
+- name: C
+ composition: {C: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [2.55423955, -3.21537724e-04, 7.33792245e-07, -7.32234889e-10, 2.66521446e-13,
+ 8.54438832e+04, 4.53130848]
+ - [2.49266888, 4.79889284e-05, -7.2433502e-08, 3.74291029e-11, -4.87277893e-15,
+ 8.54512953e+04, 4.80150373]
+ note: L11/88
+ transport:
+ model: gas
+ geometry: atom
+ well-depth: 71.4
+ diameter: 3.298
+ note: '*'
+- name: CH
+ composition: {C: 1, H: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.48981665, 3.23835541e-04, -1.68899065e-06, 3.16217327e-09, -1.40609067e-12,
+ 7.07972934e+04, 2.08401108]
+ - [2.87846473, 9.70913681e-04, 1.44445655e-07, -1.30687849e-10, 1.76079383e-14,
+ 7.10124364e+04, 5.48497999]
+ note: TPIS79
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 80.0
+ diameter: 2.75
+- name: CH2
+ composition: {C: 1, H: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.76267867, 9.68872143e-04, 2.79489841e-06, -3.85091153e-09, 1.68741719e-12,
+ 4.60040401e+04, 1.56253185]
+ - [2.87410113, 3.65639292e-03, -1.40894597e-06, 2.60179549e-10, -1.87727567e-14,
+ 4.6263604e+04, 6.17119324]
+ note: L S/93
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 144.0
+ diameter: 3.8
+- name: CH2(S)
+ composition: {C: 1, H: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.19860411, -2.36661419e-03, 8.2329622e-06, -6.68815981e-09, 1.94314737e-12,
+ 5.04968163e+04, -0.769118967]
+ - [2.29203842, 4.65588637e-03, -2.01191947e-06, 4.17906e-10, -3.39716365e-14,
+ 5.09259997e+04, 8.62650169]
+ note: L S/93
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 144.0
+ diameter: 3.8
+- name: CH3
+ composition: {C: 1, H: 3}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.6735904, 2.01095175e-03, 5.73021856e-06, -6.87117425e-09, 2.54385734e-12,
+ 1.64449988e+04, 1.60456433]
+ - [2.28571772, 7.23990037e-03, -2.98714348e-06, 5.95684644e-10, -4.67154394e-14,
+ 1.67755843e+04, 8.48007179]
+ note: L11/89
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 144.0
+ diameter: 3.8
+- name: CH4
+ composition: {C: 1, H: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11,
+ -1.02466476e+04, -4.64130376]
+ - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13,
+ -9468.34459, 18.437318]
+ note: L 8/88
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 141.4
+ diameter: 3.746
+ polarizability: 2.6
+ rotational-relaxation: 13.0
+- name: CO
+ composition: {C: 1, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.57953347, -6.1035368e-04, 1.01681433e-06, 9.07005884e-10, -9.04424499e-13,
+ -1.4344086e+04, 3.50840928]
+ - [2.71518561, 2.06252743e-03, -9.98825771e-07, 2.30053008e-10, -2.03647716e-14,
+ -1.41518724e+04, 7.81868772]
+ note: TPIS79
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 98.1
+ diameter: 3.65
+ polarizability: 1.95
+ rotational-relaxation: 1.8
+- name: CO2
+ composition: {C: 1, O: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [2.35677352, 8.98459677e-03, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13,
+ -4.83719697e+04, 9.90105222]
+ - [3.85746029, 4.41437026e-03, -2.21481404e-06, 5.23490188e-10, -4.72084164e-14,
+ -4.8759166e+04, 2.27163806]
+ note: L 7/88
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 244.0
+ diameter: 3.763
+ polarizability: 2.65
+ rotational-relaxation: 2.1
+- name: HCO
+ composition: {H: 1, C: 1, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.22118584, -3.24392532e-03, 1.37799446e-05, -1.33144093e-08, 4.33768865e-12,
+ 3839.56496, 3.39437243]
+ - [2.77217438, 4.95695526e-03, -2.48445613e-06, 5.89161778e-10, -5.33508711e-14,
+ 4011.91815, 9.79834492]
+ note: L12/89
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 498.0
+ diameter: 3.59
+- name: CH2O
+ composition: {H: 2, C: 1, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.79372315, -9.90833369e-03, 3.73220008e-05, -3.79285261e-08, 1.31772652e-11,
+ -1.43089567e+04, 0.6028129]
+ - [1.76069008, 9.20000082e-03, -4.42258813e-06, 1.00641212e-09, -8.8385564e-14,
+ -1.39958323e+04, 13.656323]
+ note: L 8/88
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 498.0
+ diameter: 3.59
+ rotational-relaxation: 2.0
+- name: CH2OH
+ composition: {C: 1, H: 3, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.86388918, 5.59672304e-03, 5.93271791e-06, -1.04532012e-08, 4.36967278e-12,
+ -3193.91367, 5.47302243]
+ - [3.69266569, 8.64576797e-03, -3.7510112e-06, 7.87234636e-10, -6.48554201e-14,
+ -3242.50627, 5.81043215]
+ note: GUNL93
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 417.0
+ diameter: 3.69
+ dipole: 1.7
+ rotational-relaxation: 2.0
+- name: CH3O
+ composition: {C: 1, H: 3, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 1000.0, 3000.0]
+ data:
+ - [2.106204, 7.216595e-03, 5.338472e-06, -7.377636e-09, 2.07561e-12,
+ 978.6011, 13.152177]
+ - [3.770799, 7.871497e-03, -2.656384e-06, 3.944431e-10, -2.112616e-14,
+ 127.83252, 2.929575]
+ note: '121686'
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 417.0
+ diameter: 3.69
+ dipole: 1.7
+ rotational-relaxation: 2.0
+- name: CH3OH
+ composition: {C: 1, H: 4, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [5.71539582, -0.0152309129, 6.52441155e-05, -7.10806889e-08, 2.61352698e-11,
+ -2.56427656e+04, -1.50409823]
+ - [1.78970791, 0.0140938292, -6.36500835e-06, 1.38171085e-09, -1.1706022e-13,
+ -2.53748747e+04, 14.5023623]
+ note: L 8/88
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 481.8
+ diameter: 3.626
+ rotational-relaxation: 1.0
+ note: SVE
+- name: C2H
+ composition: {C: 2, H: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [2.88965733, 0.0134099611, -2.84769501e-05, 2.94791045e-08, -1.09331511e-11,
+ 6.68393932e+04, 6.22296438]
+ - [3.16780652, 4.75221902e-03, -1.83787077e-06, 3.04190252e-10, -1.7723277e-14,
+ 6.7121065e+04, 6.63589475]
+ note: L 1/91
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 209.0
+ diameter: 4.1
+ rotational-relaxation: 2.5
+- name: C2H2
+ composition: {C: 2, H: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [0.808681094, 0.0233615629, -3.55171815e-05, 2.80152437e-08, -8.50072974e-12,
+ 2.64289807e+04, 13.9397051]
+ - [4.14756964, 5.96166664e-03, -2.37294852e-06, 4.67412171e-10, -3.61235213e-14,
+ 2.59359992e+04, -1.23028121]
+ note: L 1/91
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 209.0
+ diameter: 4.1
+ rotational-relaxation: 2.5
+- name: C2H3
+ composition: {C: 2, H: 3}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.21246645, 1.51479162e-03, 2.59209412e-05, -3.57657847e-08, 1.47150873e-11,
+ 3.48598468e+04, 8.51054025]
+ - [3.016724, 0.0103302292, -4.68082349e-06, 1.01763288e-09, -8.62607041e-14,
+ 3.46128739e+04, 7.78732378]
+ note: L 2/92
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 209.0
+ diameter: 4.1
+ rotational-relaxation: 1.0
+ note: '*'
+- name: C2H4
+ composition: {C: 2, H: 4}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [3.95920148, -7.57052247e-03, 5.70990292e-05, -6.91588753e-08, 2.69884373e-11,
+ 5089.77593, 4.09733096]
+ - [2.03611116, 0.0146454151, -6.71077915e-06, 1.47222923e-09, -1.25706061e-13,
+ 4939.88614, 10.3053693]
+ note: L 1/91
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 280.8
+ diameter: 3.971
+ rotational-relaxation: 1.5
+- name: C2H5
+ composition: {C: 2, H: 5}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.30646568, -4.18658892e-03, 4.97142807e-05, -5.99126606e-08, 2.30509004e-11,
+ 1.28416265e+04, 4.70720924]
+ - [1.95465642, 0.0173972722, -7.98206668e-06, 1.75217689e-09, -1.49641576e-13,
+ 1.285752e+04, 13.4624343]
+ note: L12/92
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 252.3
+ diameter: 4.302
+ rotational-relaxation: 1.5
+- name: C2H6
+ composition: {C: 2, H: 6}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [4.29142492, -5.5015427e-03, 5.99438288e-05, -7.08466285e-08, 2.68685771e-11,
+ -1.15222055e+04, 2.66682316]
+ - [1.0718815, 0.0216852677, -1.00256067e-05, 2.21412001e-09, -1.9000289e-13,
+ -1.14263932e+04, 15.1156107]
+ note: L 8/88
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 252.3
+ diameter: 4.302
+ rotational-relaxation: 1.5
+- name: HCCO
+ composition: {H: 1, C: 2, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 1000.0, 4000.0]
+ data:
+ - [2.2517214, 0.017655021, -2.3729101e-05, 1.7275759e-08, -5.0664811e-12,
+ 2.0059449e+04, 12.490417]
+ - [5.6282058, 4.0853401e-03, -1.5934547e-06, 2.8626052e-10, -1.9407832e-14,
+ 1.9327215e+04, -3.9302595]
+ note: SRIC91
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 150.0
+ diameter: 2.5
+ rotational-relaxation: 1.0
+ note: '*'
+- name: CH2CO
+ composition: {C: 2, H: 2, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 3500.0]
+ data:
+ - [2.1358363, 0.0181188721, -1.73947474e-05, 9.34397568e-09, -2.01457615e-12,
+ -7042.91804, 12.215648]
+ - [4.51129732, 9.00359745e-03, -4.16939635e-06, 9.23345882e-10, -7.94838201e-14,
+ -7551.05311, 0.632247205]
+ note: L 5/90
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 436.0
+ diameter: 3.97
+ rotational-relaxation: 2.0
+- name: HCCOH
+ composition: {C: 2, O: 1, H: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 1000.0, 5000.0]
+ data:
+ - [1.2423733, 0.031072201, -5.0866864e-05, 4.3137131e-08, -1.4014594e-11,
+ 8031.6143, 13.874319]
+ - [5.9238291, 6.79236e-03, -2.5658564e-06, 4.4987841e-10, -2.9940101e-14,
+ 7264.626, -7.6017742]
+ note: SRI91
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 436.0
+ diameter: 3.97
+ rotational-relaxation: 2.0
+- name: N2
+ composition: {N: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 1000.0, 5000.0]
+ data:
+ - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12,
+ -1020.8999, 3.950372]
+ - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15,
+ -922.7977, 5.980528]
+ note: '121286'
+ transport:
+ model: gas
+ geometry: linear
+ well-depth: 97.53
+ diameter: 3.621
+ polarizability: 1.76
+ rotational-relaxation: 4.0
+- name: AR
+ composition: {Ar: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 5000.0]
+ data:
+ - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366]
+ note: '120186'
+ transport:
+ model: gas
+ geometry: atom
+ well-depth: 136.5
+ diameter: 3.33
+- name: C3H7
+ composition: {C: 3, H: 7}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 1000.0, 5000.0]
+ data:
+ - [1.0515518, 0.02599198, 2.380054e-06, -1.9609569e-08, 9.373247e-12,
+ 1.0631863e+04, 21.122559]
+ - [7.7026987, 0.016044203, -5.283322e-06, 7.629859e-10, -3.9392284e-14,
+ 8298.4336, -15.48018]
+ note: L 9/84
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 266.8
+ diameter: 4.982
+ rotational-relaxation: 1.0
+- name: C3H8
+ composition: {C: 3, H: 8}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 1000.0, 5000.0]
+ data:
+ - [0.93355381, 0.026424579, 6.1059727e-06, -2.1977499e-08, 9.5149253e-12,
+ -1.395852e+04, 19.201691]
+ - [7.5341368, 0.018872239, -6.2718491e-06, 9.1475649e-10, -4.7838069e-14,
+ -1.6467516e+04, -17.892349]
+ note: L 4/85
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 266.8
+ diameter: 4.982
+ rotational-relaxation: 1.0
+- name: CH2CHO
+ composition: {O: 1, H: 3, C: 2}
+ thermo:
+ model: NASA7
+ temperature-ranges: [250.0, 1000.0, 5000.0]
+ data:
+ - [3.409062, 0.010738574, 1.891492e-06, -7.158583e-09, 2.867385e-12,
+ 1521.4766, 9.55829]
+ - [5.97567, 8.130591e-03, -2.743624e-06, 4.070304e-10, -2.176017e-14,
+ 490.3218, -5.045251]
+ note: SAND86
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 436.0
+ diameter: 3.97
+ rotational-relaxation: 2.0
+- name: CH3CHO
+ composition: {C: 2, H: 4, O: 1}
+ thermo:
+ model: NASA7
+ temperature-ranges: [200.0, 1000.0, 6000.0]
+ data:
+ - [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11,
+ -2.1572878e+04, 4.1030159]
+ - [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14,
+ -2.2593122e+04, -3.4807917]
+ note: L 8/88
+ transport:
+ model: gas
+ geometry: nonlinear
+ well-depth: 436.0
+ diameter: 3.97
+ rotational-relaxation: 2.0
+
+reactions:
+- equation: 2 O + M <=> O2 + M # Reaction 1
+ type: three-body
+ rate-constant: {A: 1.2e+17, b: -1.0, Ea: 0.0}
+ efficiencies: {H2: 2.4, H2O: 15.4, CH4: 2.0, CO: 1.75, CO2: 3.6, C2H6: 3.0,
+ AR: 0.83}
+- equation: O + H + M <=> OH + M # Reaction 2
+ type: three-body
+ rate-constant: {A: 5.0e+17, b: -1.0, Ea: 0.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: O + H2 <=> H + OH # Reaction 3
+ rate-constant: {A: 3.87e+04, b: 2.7, Ea: 6260.0}
+- equation: O + HO2 <=> OH + O2 # Reaction 4
+ rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + H2O2 <=> OH + HO2 # Reaction 5
+ rate-constant: {A: 9.63e+06, b: 2.0, Ea: 4000.0}
+- equation: O + CH <=> H + CO # Reaction 6
+ rate-constant: {A: 5.7e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH2 <=> H + HCO # Reaction 7
+ rate-constant: {A: 8.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH2(S) <=> H2 + CO # Reaction 8
+ rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH2(S) <=> H + HCO # Reaction 9
+ rate-constant: {A: 1.5e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH3 <=> H + CH2O # Reaction 10
+ rate-constant: {A: 5.06e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH4 <=> OH + CH3 # Reaction 11
+ rate-constant: {A: 1.02e+09, b: 1.5, Ea: 8600.0}
+- equation: O + CO (+M) <=> CO2 (+M) # Reaction 12
+ type: falloff
+ low-P-rate-constant: {A: 6.02e+14, b: 0.0, Ea: 3000.0}
+ high-P-rate-constant: {A: 1.8e+10, b: 0.0, Ea: 2385.0}
+ efficiencies: {H2: 2.0, O2: 6.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 3.5,
+ C2H6: 3.0, AR: 0.5}
+- equation: O + HCO <=> OH + CO # Reaction 13
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + HCO <=> H + CO2 # Reaction 14
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH2O <=> OH + HCO # Reaction 15
+ rate-constant: {A: 3.9e+13, b: 0.0, Ea: 3540.0}
+- equation: O + CH2OH <=> OH + CH2O # Reaction 16
+ rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH3O <=> OH + CH2O # Reaction 17
+ rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH3OH <=> OH + CH2OH # Reaction 18
+ rate-constant: {A: 3.88e+05, b: 2.5, Ea: 3100.0}
+- equation: O + CH3OH <=> OH + CH3O # Reaction 19
+ rate-constant: {A: 1.3e+05, b: 2.5, Ea: 5000.0}
+- equation: O + C2H <=> CH + CO # Reaction 20
+ rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + C2H2 <=> H + HCCO # Reaction 21
+ rate-constant: {A: 1.35e+07, b: 2.0, Ea: 1900.0}
+- equation: O + C2H2 <=> OH + C2H # Reaction 22
+ rate-constant: {A: 4.6e+19, b: -1.41, Ea: 2.895e+04}
+- equation: O + C2H2 <=> CO + CH2 # Reaction 23
+ rate-constant: {A: 6.94e+06, b: 2.0, Ea: 1900.0}
+- equation: O + C2H3 <=> H + CH2CO # Reaction 24
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + C2H4 <=> CH3 + HCO # Reaction 25
+ rate-constant: {A: 1.25e+07, b: 1.83, Ea: 220.0}
+- equation: O + C2H5 <=> CH3 + CH2O # Reaction 26
+ rate-constant: {A: 2.24e+13, b: 0.0, Ea: 0.0}
+- equation: O + C2H6 <=> OH + C2H5 # Reaction 27
+ rate-constant: {A: 8.98e+07, b: 1.92, Ea: 5690.0}
+- equation: O + HCCO <=> H + 2 CO # Reaction 28
+ rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
+- equation: O + CH2CO <=> OH + HCCO # Reaction 29
+ rate-constant: {A: 1.0e+13, b: 0.0, Ea: 8000.0}
+- equation: O + CH2CO <=> CH2 + CO2 # Reaction 30
+ rate-constant: {A: 1.75e+12, b: 0.0, Ea: 1350.0}
+- equation: O2 + CO <=> O + CO2 # Reaction 31
+ rate-constant: {A: 2.5e+12, b: 0.0, Ea: 4.78e+04}
+- equation: O2 + CH2O <=> HO2 + HCO # Reaction 32
+ rate-constant: {A: 1.0e+14, b: 0.0, Ea: 4.0e+04}
+- equation: H + O2 + M <=> HO2 + M # Reaction 33
+ type: three-body
+ rate-constant: {A: 2.8e+18, b: -0.86, Ea: 0.0}
+ efficiencies: {O2: 0.0, H2O: 0.0, CO: 0.75, CO2: 1.5, C2H6: 1.5, N2: 0.0,
+ AR: 0.0}
+- equation: H + 2 O2 <=> HO2 + O2 # Reaction 34
+ rate-constant: {A: 2.08e+19, b: -1.24, Ea: 0.0}
+- equation: H + O2 + H2O <=> HO2 + H2O # Reaction 35
+ rate-constant: {A: 1.126e+19, b: -0.76, Ea: 0.0}
+- equation: H + O2 + N2 <=> HO2 + N2 # Reaction 36
+ rate-constant: {A: 2.6e+19, b: -1.24, Ea: 0.0}
+- equation: H + O2 + AR <=> HO2 + AR # Reaction 37
+ rate-constant: {A: 7.0e+17, b: -0.8, Ea: 0.0}
+- equation: H + O2 <=> O + OH # Reaction 38
+ rate-constant: {A: 2.65e+16, b: -0.6707, Ea: 1.7041e+04}
+- equation: 2 H + M <=> H2 + M # Reaction 39
+ type: three-body
+ rate-constant: {A: 1.0e+18, b: -1.0, Ea: 0.0}
+ efficiencies: {H2: 0.0, H2O: 0.0, CH4: 2.0, CO2: 0.0, C2H6: 3.0, AR: 0.63}
+- equation: 2 H + H2 <=> 2 H2 # Reaction 40
+ rate-constant: {A: 9.0e+16, b: -0.6, Ea: 0.0}
+- equation: 2 H + H2O <=> H2 + H2O # Reaction 41
+ rate-constant: {A: 6.0e+19, b: -1.25, Ea: 0.0}
+- equation: 2 H + CO2 <=> H2 + CO2 # Reaction 42
+ rate-constant: {A: 5.5e+20, b: -2.0, Ea: 0.0}
+- equation: H + OH + M <=> H2O + M # Reaction 43
+ type: three-body
+ rate-constant: {A: 2.2e+22, b: -2.0, Ea: 0.0}
+ efficiencies: {H2: 0.73, H2O: 3.65, CH4: 2.0, C2H6: 3.0, AR: 0.38}
+- equation: H + HO2 <=> O + H2O # Reaction 44
+ rate-constant: {A: 3.97e+12, b: 0.0, Ea: 671.0}
+- equation: H + HO2 <=> O2 + H2 # Reaction 45
+ rate-constant: {A: 4.48e+13, b: 0.0, Ea: 1068.0}
+- equation: H + HO2 <=> 2 OH # Reaction 46
+ rate-constant: {A: 8.4e+13, b: 0.0, Ea: 635.0}
+- equation: H + H2O2 <=> HO2 + H2 # Reaction 47
+ rate-constant: {A: 1.21e+07, b: 2.0, Ea: 5200.0}
+- equation: H + H2O2 <=> OH + H2O # Reaction 48
+ rate-constant: {A: 1.0e+13, b: 0.0, Ea: 3600.0}
+- equation: H + CH <=> C + H2 # Reaction 49
+ rate-constant: {A: 1.65e+14, b: 0.0, Ea: 0.0}
+- equation: H + CH2 (+M) <=> CH3 (+M) # Reaction 50
+ type: falloff
+ low-P-rate-constant: {A: 1.04e+26, b: -2.76, Ea: 1600.0}
+ high-P-rate-constant: {A: 6.0e+14, b: 0.0, Ea: 0.0}
+ Troe: {A: 0.562, T3: 91.0, T1: 5836.0, T2: 8552.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + CH2(S) <=> CH + H2 # Reaction 51
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: H + CH3 (+M) <=> CH4 (+M) # Reaction 52
+ type: falloff
+ low-P-rate-constant: {A: 2.62e+33, b: -4.76, Ea: 2440.0}
+ high-P-rate-constant: {A: 1.39e+16, b: -0.534, Ea: 536.0}
+ Troe: {A: 0.783, T3: 74.0, T1: 2941.0, T2: 6964.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 3.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + CH4 <=> CH3 + H2 # Reaction 53
+ rate-constant: {A: 6.6e+08, b: 1.62, Ea: 1.084e+04}
+- equation: H + HCO (+M) <=> CH2O (+M) # Reaction 54
+ type: falloff
+ low-P-rate-constant: {A: 2.47e+24, b: -2.57, Ea: 425.0}
+ high-P-rate-constant: {A: 1.09e+12, b: 0.48, Ea: -260.0}
+ Troe: {A: 0.7824, T3: 271.0, T1: 2755.0, T2: 6570.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + HCO <=> H2 + CO # Reaction 55
+ rate-constant: {A: 7.34e+13, b: 0.0, Ea: 0.0}
+- equation: H + CH2O (+M) <=> CH2OH (+M) # Reaction 56
+ type: falloff
+ low-P-rate-constant: {A: 1.27e+32, b: -4.82, Ea: 6530.0}
+ high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 3600.0}
+ Troe: {A: 0.7187, T3: 103.0, T1: 1291.0, T2: 4160.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
+- equation: H + CH2O (+M) <=> CH3O (+M) # Reaction 57
+ type: falloff
+ low-P-rate-constant: {A: 2.2e+30, b: -4.8, Ea: 5560.0}
+ high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 2600.0}
+ Troe: {A: 0.758, T3: 94.0, T1: 1555.0, T2: 4200.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
+- equation: H + CH2O <=> HCO + H2 # Reaction 58
+ rate-constant: {A: 5.74e+07, b: 1.9, Ea: 2742.0}
+- equation: H + CH2OH (+M) <=> CH3OH (+M) # Reaction 59
+ type: falloff
+ low-P-rate-constant: {A: 4.36e+31, b: -4.65, Ea: 5080.0}
+ high-P-rate-constant: {A: 1.055e+12, b: 0.5, Ea: 86.0}
+ Troe: {A: 0.6, T3: 100.0, T1: 9.0e+04, T2: 1.0e+04}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
+- equation: H + CH2OH <=> H2 + CH2O # Reaction 60
+ rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
+- equation: H + CH2OH <=> OH + CH3 # Reaction 61
+ rate-constant: {A: 1.65e+11, b: 0.65, Ea: -284.0}
+- equation: H + CH2OH <=> CH2(S) + H2O # Reaction 62
+ rate-constant: {A: 3.28e+13, b: -0.09, Ea: 610.0}
+- equation: H + CH3O (+M) <=> CH3OH (+M) # Reaction 63
+ type: falloff
+ low-P-rate-constant: {A: 4.66e+41, b: -7.44, Ea: 1.408e+04}
+ high-P-rate-constant: {A: 2.43e+12, b: 0.515, Ea: 50.0}
+ Troe: {A: 0.7, T3: 100.0, T1: 9.0e+04, T2: 1.0e+04}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
+- equation: H + CH3O <=> H + CH2OH # Reaction 64
+ rate-constant: {A: 4.15e+07, b: 1.63, Ea: 1924.0}
+- equation: H + CH3O <=> H2 + CH2O # Reaction 65
+ rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
+- equation: H + CH3O <=> OH + CH3 # Reaction 66
+ rate-constant: {A: 1.5e+12, b: 0.5, Ea: -110.0}
+- equation: H + CH3O <=> CH2(S) + H2O # Reaction 67
+ rate-constant: {A: 2.62e+14, b: -0.23, Ea: 1070.0}
+- equation: H + CH3OH <=> CH2OH + H2 # Reaction 68
+ rate-constant: {A: 1.7e+07, b: 2.1, Ea: 4870.0}
+- equation: H + CH3OH <=> CH3O + H2 # Reaction 69
+ rate-constant: {A: 4.2e+06, b: 2.1, Ea: 4870.0}
+- equation: H + C2H (+M) <=> C2H2 (+M) # Reaction 70
+ type: falloff
+ low-P-rate-constant: {A: 3.75e+33, b: -4.8, Ea: 1900.0}
+ high-P-rate-constant: {A: 1.0e+17, b: -1.0, Ea: 0.0}
+ Troe: {A: 0.6464, T3: 132.0, T1: 1315.0, T2: 5566.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + C2H2 (+M) <=> C2H3 (+M) # Reaction 71
+ type: falloff
+ low-P-rate-constant: {A: 3.8e+40, b: -7.27, Ea: 7220.0}
+ high-P-rate-constant: {A: 5.6e+12, b: 0.0, Ea: 2400.0}
+ Troe: {A: 0.7507, T3: 98.5, T1: 1302.0, T2: 4167.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + C2H3 (+M) <=> C2H4 (+M) # Reaction 72
+ type: falloff
+ low-P-rate-constant: {A: 1.4e+30, b: -3.86, Ea: 3320.0}
+ high-P-rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280.0}
+ Troe: {A: 0.782, T3: 207.5, T1: 2663.0, T2: 6095.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + C2H3 <=> H2 + C2H2 # Reaction 73
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: H + C2H4 (+M) <=> C2H5 (+M) # Reaction 74
+ type: falloff
+ low-P-rate-constant: {A: 6.0e+41, b: -7.62, Ea: 6970.0}
+ high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 1820.0}
+ Troe: {A: 0.9753, T3: 210.0, T1: 984.0, T2: 4374.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + C2H4 <=> C2H3 + H2 # Reaction 75
+ rate-constant: {A: 1.325e+06, b: 2.53, Ea: 1.224e+04}
+- equation: H + C2H5 (+M) <=> C2H6 (+M) # Reaction 76
+ type: falloff
+ low-P-rate-constant: {A: 1.99e+41, b: -7.08, Ea: 6685.0}
+ high-P-rate-constant: {A: 5.21e+17, b: -0.99, Ea: 1580.0}
+ Troe: {A: 0.8422, T3: 125.0, T1: 2219.0, T2: 6882.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + C2H5 <=> H2 + C2H4 # Reaction 77
+ rate-constant: {A: 2.0e+12, b: 0.0, Ea: 0.0}
+- equation: H + C2H6 <=> C2H5 + H2 # Reaction 78
+ rate-constant: {A: 1.15e+08, b: 1.9, Ea: 7530.0}
+- equation: H + HCCO <=> CH2(S) + CO # Reaction 79
+ rate-constant: {A: 1.0e+14, b: 0.0, Ea: 0.0}
+- equation: H + CH2CO <=> HCCO + H2 # Reaction 80
+ rate-constant: {A: 5.0e+13, b: 0.0, Ea: 8000.0}
+- equation: H + CH2CO <=> CH3 + CO # Reaction 81
+ rate-constant: {A: 1.13e+13, b: 0.0, Ea: 3428.0}
+- equation: H + HCCOH <=> H + CH2CO # Reaction 82
+ rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
+- equation: H2 + CO (+M) <=> CH2O (+M) # Reaction 83
+ type: falloff
+ low-P-rate-constant: {A: 5.07e+27, b: -3.42, Ea: 8.435e+04}
+ high-P-rate-constant: {A: 4.3e+07, b: 1.5, Ea: 7.96e+04}
+ Troe: {A: 0.932, T3: 197.0, T1: 1540.0, T2: 1.03e+04}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: OH + H2 <=> H + H2O # Reaction 84
+ rate-constant: {A: 2.16e+08, b: 1.51, Ea: 3430.0}
+- equation: 2 OH (+M) <=> H2O2 (+M) # Reaction 85
+ type: falloff
+ low-P-rate-constant: {A: 2.3e+18, b: -0.9, Ea: -1700.0}
+ high-P-rate-constant: {A: 7.4e+13, b: -0.37, Ea: 0.0}
+ Troe: {A: 0.7346, T3: 94.0, T1: 1756.0, T2: 5182.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: 2 OH <=> O + H2O # Reaction 86
+ rate-constant: {A: 3.57e+04, b: 2.4, Ea: -2110.0}
+- equation: OH + HO2 <=> O2 + H2O # Reaction 87
+ duplicate: true
+ rate-constant: {A: 1.45e+13, b: 0.0, Ea: -500.0}
+- equation: OH + H2O2 <=> HO2 + H2O # Reaction 88
+ duplicate: true
+ rate-constant: {A: 2.0e+12, b: 0.0, Ea: 427.0}
+- equation: OH + H2O2 <=> HO2 + H2O # Reaction 89
+ duplicate: true
+ rate-constant: {A: 1.7e+18, b: 0.0, Ea: 2.941e+04}
+- equation: OH + C <=> H + CO # Reaction 90
+ rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
+- equation: OH + CH <=> H + HCO # Reaction 91
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: OH + CH2 <=> H + CH2O # Reaction 92
+ rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
+- equation: OH + CH2 <=> CH + H2O # Reaction 93
+ rate-constant: {A: 1.13e+07, b: 2.0, Ea: 3000.0}
+- equation: OH + CH2(S) <=> H + CH2O # Reaction 94
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: OH + CH3 (+M) <=> CH3OH (+M) # Reaction 95
+ type: falloff
+ low-P-rate-constant: {A: 4.0e+36, b: -5.92, Ea: 3140.0}
+ high-P-rate-constant: {A: 2.79e+18, b: -1.43, Ea: 1330.0}
+ Troe: {A: 0.412, T3: 195.0, T1: 5900.0, T2: 6394.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
+- equation: OH + CH3 <=> CH2 + H2O # Reaction 96
+ rate-constant: {A: 5.6e+07, b: 1.6, Ea: 5420.0}
+- equation: OH + CH3 <=> CH2(S) + H2O # Reaction 97
+ rate-constant: {A: 6.44e+17, b: -1.34, Ea: 1417.0}
+- equation: OH + CH4 <=> CH3 + H2O # Reaction 98
+ rate-constant: {A: 1.0e+08, b: 1.6, Ea: 3120.0}
+- equation: OH + CO <=> H + CO2 # Reaction 99
+ rate-constant: {A: 4.76e+07, b: 1.228, Ea: 70.0}
+- equation: OH + HCO <=> H2O + CO # Reaction 100
+ rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
+- equation: OH + CH2O <=> HCO + H2O # Reaction 101
+ rate-constant: {A: 3.43e+09, b: 1.18, Ea: -447.0}
+- equation: OH + CH2OH <=> H2O + CH2O # Reaction 102
+ rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0}
+- equation: OH + CH3O <=> H2O + CH2O # Reaction 103
+ rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0}
+- equation: OH + CH3OH <=> CH2OH + H2O # Reaction 104
+ rate-constant: {A: 1.44e+06, b: 2.0, Ea: -840.0}
+- equation: OH + CH3OH <=> CH3O + H2O # Reaction 105
+ rate-constant: {A: 6.3e+06, b: 2.0, Ea: 1500.0}
+- equation: OH + C2H <=> H + HCCO # Reaction 106
+ rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
+- equation: OH + C2H2 <=> H + CH2CO # Reaction 107
+ rate-constant: {A: 2.18e-04, b: 4.5, Ea: -1000.0}
+- equation: OH + C2H2 <=> H + HCCOH # Reaction 108
+ rate-constant: {A: 5.04e+05, b: 2.3, Ea: 1.35e+04}
+- equation: OH + C2H2 <=> C2H + H2O # Reaction 109
+ rate-constant: {A: 3.37e+07, b: 2.0, Ea: 1.4e+04}
+- equation: OH + C2H2 <=> CH3 + CO # Reaction 110
+ rate-constant: {A: 4.83e-04, b: 4.0, Ea: -2000.0}
+- equation: OH + C2H3 <=> H2O + C2H2 # Reaction 111
+ rate-constant: {A: 5.0e+12, b: 0.0, Ea: 0.0}
+- equation: OH + C2H4 <=> C2H3 + H2O # Reaction 112
+ rate-constant: {A: 3.6e+06, b: 2.0, Ea: 2500.0}
+- equation: OH + C2H6 <=> C2H5 + H2O # Reaction 113
+ rate-constant: {A: 3.54e+06, b: 2.12, Ea: 870.0}
+- equation: OH + CH2CO <=> HCCO + H2O # Reaction 114
+ rate-constant: {A: 7.5e+12, b: 0.0, Ea: 2000.0}
+- equation: 2 HO2 <=> O2 + H2O2 # Reaction 115
+ duplicate: true
+ rate-constant: {A: 1.3e+11, b: 0.0, Ea: -1630.0}
+- equation: 2 HO2 <=> O2 + H2O2 # Reaction 116
+ duplicate: true
+ rate-constant: {A: 4.2e+14, b: 0.0, Ea: 1.2e+04}
+- equation: HO2 + CH2 <=> OH + CH2O # Reaction 117
+ rate-constant: {A: 2.0e+13, b: 0.0, Ea: 0.0}
+- equation: HO2 + CH3 <=> O2 + CH4 # Reaction 118
+ rate-constant: {A: 1.0e+12, b: 0.0, Ea: 0.0}
+- equation: HO2 + CH3 <=> OH + CH3O # Reaction 119
+ rate-constant: {A: 3.78e+13, b: 0.0, Ea: 0.0}
+- equation: HO2 + CO <=> OH + CO2 # Reaction 120
+ rate-constant: {A: 1.5e+14, b: 0.0, Ea: 2.36e+04}
+- equation: HO2 + CH2O <=> HCO + H2O2 # Reaction 121
+ rate-constant: {A: 5.6e+06, b: 2.0, Ea: 1.2e+04}
+- equation: C + O2 <=> O + CO # Reaction 122
+ rate-constant: {A: 5.8e+13, b: 0.0, Ea: 576.0}
+- equation: C + CH2 <=> H + C2H # Reaction 123
+ rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
+- equation: C + CH3 <=> H + C2H2 # Reaction 124
+ rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH + O2 <=> O + HCO # Reaction 125
+ rate-constant: {A: 6.71e+13, b: 0.0, Ea: 0.0}
+- equation: CH + H2 <=> H + CH2 # Reaction 126
+ rate-constant: {A: 1.08e+14, b: 0.0, Ea: 3110.0}
+- equation: CH + H2O <=> H + CH2O # Reaction 127
+ rate-constant: {A: 5.71e+12, b: 0.0, Ea: -755.0}
+- equation: CH + CH2 <=> H + C2H2 # Reaction 128
+ rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH + CH3 <=> H + C2H3 # Reaction 129
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH + CH4 <=> H + C2H4 # Reaction 130
+ rate-constant: {A: 6.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH + CO (+M) <=> HCCO (+M) # Reaction 131
+ type: falloff
+ low-P-rate-constant: {A: 2.69e+28, b: -3.74, Ea: 1936.0}
+ high-P-rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
+ Troe: {A: 0.5757, T3: 237.0, T1: 1652.0, T2: 5069.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: CH + CO2 <=> HCO + CO # Reaction 132
+ rate-constant: {A: 1.9e+14, b: 0.0, Ea: 1.5792e+04}
+- equation: CH + CH2O <=> H + CH2CO # Reaction 133
+ rate-constant: {A: 9.46e+13, b: 0.0, Ea: -515.0}
+- equation: CH + HCCO <=> CO + C2H2 # Reaction 134
+ rate-constant: {A: 5.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH2 + O2 => OH + H + CO # Reaction 135
+ rate-constant: {A: 5.0e+12, b: 0.0, Ea: 1500.0}
+- equation: CH2 + H2 <=> H + CH3 # Reaction 136
+ rate-constant: {A: 5.0e+05, b: 2.0, Ea: 7230.0}
+- equation: 2 CH2 <=> H2 + C2H2 # Reaction 137
+ rate-constant: {A: 1.6e+15, b: 0.0, Ea: 1.1944e+04}
+- equation: CH2 + CH3 <=> H + C2H4 # Reaction 138
+ rate-constant: {A: 4.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH2 + CH4 <=> 2 CH3 # Reaction 139
+ rate-constant: {A: 2.46e+06, b: 2.0, Ea: 8270.0}
+- equation: CH2 + CO (+M) <=> CH2CO (+M) # Reaction 140
+ type: falloff
+ low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095.0}
+ high-P-rate-constant: {A: 8.1e+11, b: 0.5, Ea: 4510.0}
+ Troe: {A: 0.5907, T3: 275.0, T1: 1226.0, T2: 5185.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: CH2 + HCCO <=> C2H3 + CO # Reaction 141
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + N2 <=> CH2 + N2 # Reaction 142
+ rate-constant: {A: 1.5e+13, b: 0.0, Ea: 600.0}
+- equation: CH2(S) + AR <=> CH2 + AR # Reaction 143
+ rate-constant: {A: 9.0e+12, b: 0.0, Ea: 600.0}
+- equation: CH2(S) + O2 <=> H + OH + CO # Reaction 144
+ rate-constant: {A: 2.8e+13, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + O2 <=> CO + H2O # Reaction 145
+ rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + H2 <=> CH3 + H # Reaction 146
+ rate-constant: {A: 7.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + H2O (+M) <=> CH3OH (+M) # Reaction 147
+ type: falloff
+ low-P-rate-constant: {A: 1.88e+38, b: -6.36, Ea: 5040.0}
+ high-P-rate-constant: {A: 4.82e+17, b: -1.16, Ea: 1145.0}
+ Troe: {A: 0.6027, T3: 208.0, T1: 3922.0, T2: 1.018e+04}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
+- equation: CH2(S) + H2O <=> CH2 + H2O # Reaction 148
+ rate-constant: {A: 3.0e+13, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + CH3 <=> H + C2H4 # Reaction 149
+ rate-constant: {A: 1.2e+13, b: 0.0, Ea: -570.0}
+- equation: CH2(S) + CH4 <=> 2 CH3 # Reaction 150
+ rate-constant: {A: 1.6e+13, b: 0.0, Ea: -570.0}
+- equation: CH2(S) + CO <=> CH2 + CO # Reaction 151
+ rate-constant: {A: 9.0e+12, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + CO2 <=> CH2 + CO2 # Reaction 152
+ rate-constant: {A: 7.0e+12, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + CO2 <=> CO + CH2O # Reaction 153
+ rate-constant: {A: 1.4e+13, b: 0.0, Ea: 0.0}
+- equation: CH2(S) + C2H6 <=> CH3 + C2H5 # Reaction 154
+ rate-constant: {A: 4.0e+13, b: 0.0, Ea: -550.0}
+- equation: CH3 + O2 <=> O + CH3O # Reaction 155
+ rate-constant: {A: 3.56e+13, b: 0.0, Ea: 3.048e+04}
+- equation: CH3 + O2 <=> OH + CH2O # Reaction 156
+ rate-constant: {A: 2.31e+12, b: 0.0, Ea: 2.0315e+04}
+- equation: CH3 + H2O2 <=> HO2 + CH4 # Reaction 157
+ rate-constant: {A: 2.45e+04, b: 2.47, Ea: 5180.0}
+- equation: 2 CH3 (+M) <=> C2H6 (+M) # Reaction 158
+ type: falloff
+ low-P-rate-constant: {A: 3.4e+41, b: -7.03, Ea: 2762.0}
+ high-P-rate-constant: {A: 6.77e+16, b: -1.18, Ea: 654.0}
+ Troe: {A: 0.619, T3: 73.2, T1: 1180.0, T2: 9999.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: 2 CH3 <=> H + C2H5 # Reaction 159
+ rate-constant: {A: 6.84e+12, b: 0.1, Ea: 1.06e+04}
+- equation: CH3 + HCO <=> CH4 + CO # Reaction 160
+ rate-constant: {A: 2.648e+13, b: 0.0, Ea: 0.0}
+- equation: CH3 + CH2O <=> HCO + CH4 # Reaction 161
+ rate-constant: {A: 3320.0, b: 2.81, Ea: 5860.0}
+- equation: CH3 + CH3OH <=> CH2OH + CH4 # Reaction 162
+ rate-constant: {A: 3.0e+07, b: 1.5, Ea: 9940.0}
+- equation: CH3 + CH3OH <=> CH3O + CH4 # Reaction 163
+ rate-constant: {A: 1.0e+07, b: 1.5, Ea: 9940.0}
+- equation: CH3 + C2H4 <=> C2H3 + CH4 # Reaction 164
+ rate-constant: {A: 2.27e+05, b: 2.0, Ea: 9200.0}
+- equation: CH3 + C2H6 <=> C2H5 + CH4 # Reaction 165
+ rate-constant: {A: 6.14e+06, b: 1.74, Ea: 1.045e+04}
+- equation: HCO + H2O <=> H + CO + H2O # Reaction 166
+ rate-constant: {A: 1.5e+18, b: -1.0, Ea: 1.7e+04}
+- equation: HCO + M <=> H + CO + M # Reaction 167
+ type: three-body
+ rate-constant: {A: 1.87e+17, b: -1.0, Ea: 1.7e+04}
+ efficiencies: {H2: 2.0, H2O: 0.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0}
+- equation: HCO + O2 <=> HO2 + CO # Reaction 168
+ rate-constant: {A: 1.345e+13, b: 0.0, Ea: 400.0}
+- equation: CH2OH + O2 <=> HO2 + CH2O # Reaction 169
+ rate-constant: {A: 1.8e+13, b: 0.0, Ea: 900.0}
+- equation: CH3O + O2 <=> HO2 + CH2O # Reaction 170
+ rate-constant: {A: 4.28e-13, b: 7.6, Ea: -3530.0}
+- equation: C2H + O2 <=> HCO + CO # Reaction 171
+ rate-constant: {A: 1.0e+13, b: 0.0, Ea: -755.0}
+- equation: C2H + H2 <=> H + C2H2 # Reaction 172
+ rate-constant: {A: 5.68e+10, b: 0.9, Ea: 1993.0}
+- equation: C2H3 + O2 <=> HCO + CH2O # Reaction 173
+ rate-constant: {A: 4.58e+16, b: -1.39, Ea: 1015.0}
+- equation: C2H4 (+M) <=> H2 + C2H2 (+M) # Reaction 174
+ type: falloff
+ low-P-rate-constant: {A: 1.58e+51, b: -9.3, Ea: 9.78e+04}
+ high-P-rate-constant: {A: 8.0e+12, b: 0.44, Ea: 8.677e+04}
+ Troe: {A: 0.7345, T3: 180.0, T1: 1035.0, T2: 5417.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: C2H5 + O2 <=> HO2 + C2H4 # Reaction 175
+ rate-constant: {A: 8.4e+11, b: 0.0, Ea: 3875.0}
+- equation: HCCO + O2 <=> OH + 2 CO # Reaction 176
+ rate-constant: {A: 3.2e+12, b: 0.0, Ea: 854.0}
+- equation: 2 HCCO <=> 2 CO + C2H2 # Reaction 177
+ rate-constant: {A: 1.0e+13, b: 0.0, Ea: 0.0}
+- equation: O + CH3 => H + H2 + CO # Reaction 178
+ rate-constant: {A: 3.37e+13, b: 0.0, Ea: 0.0}
+- equation: O + C2H4 <=> H + CH2CHO # Reaction 179
+ rate-constant: {A: 6.7e+06, b: 1.83, Ea: 220.0}
+- equation: O + C2H5 <=> H + CH3CHO # Reaction 180
+ rate-constant: {A: 1.096e+14, b: 0.0, Ea: 0.0}
+- equation: OH + HO2 <=> O2 + H2O # Reaction 181
+ duplicate: true
+ rate-constant: {A: 5.0e+15, b: 0.0, Ea: 1.733e+04}
+- equation: OH + CH3 => H2 + CH2O # Reaction 182
+ rate-constant: {A: 8.0e+09, b: 0.5, Ea: -1755.0}
+- equation: CH + H2 (+M) <=> CH3 (+M) # Reaction 183
+ type: falloff
+ low-P-rate-constant: {A: 4.82e+25, b: -2.8, Ea: 590.0}
+ high-P-rate-constant: {A: 1.97e+12, b: 0.43, Ea: -370.0}
+ Troe: {A: 0.578, T3: 122.0, T1: 2535.0, T2: 9365.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: CH2 + O2 => 2 H + CO2 # Reaction 184
+ rate-constant: {A: 5.8e+12, b: 0.0, Ea: 1500.0}
+- equation: CH2 + O2 <=> O + CH2O # Reaction 185
+ rate-constant: {A: 2.4e+12, b: 0.0, Ea: 1500.0}
+- equation: CH2 + CH2 => 2 H + C2H2 # Reaction 186
+ rate-constant: {A: 2.0e+14, b: 0.0, Ea: 1.0989e+04}
+- equation: CH2(S) + H2O => H2 + CH2O # Reaction 187
+ rate-constant: {A: 6.82e+10, b: 0.25, Ea: -935.0}
+- equation: C2H3 + O2 <=> O + CH2CHO # Reaction 188
+ rate-constant: {A: 3.03e+11, b: 0.29, Ea: 11.0}
+- equation: C2H3 + O2 <=> HO2 + C2H2 # Reaction 189
+ rate-constant: {A: 1.337e+06, b: 1.61, Ea: -384.0}
+- equation: O + CH3CHO <=> OH + CH2CHO # Reaction 190
+ rate-constant: {A: 2.92e+12, b: 0.0, Ea: 1808.0}
+- equation: O + CH3CHO => OH + CH3 + CO # Reaction 191
+ rate-constant: {A: 2.92e+12, b: 0.0, Ea: 1808.0}
+- equation: O2 + CH3CHO => HO2 + CH3 + CO # Reaction 192
+ rate-constant: {A: 3.01e+13, b: 0.0, Ea: 3.915e+04}
+- equation: H + CH3CHO <=> CH2CHO + H2 # Reaction 193
+ rate-constant: {A: 2.05e+09, b: 1.16, Ea: 2405.0}
+- equation: H + CH3CHO => CH3 + H2 + CO # Reaction 194
+ rate-constant: {A: 2.05e+09, b: 1.16, Ea: 2405.0}
+- equation: OH + CH3CHO => CH3 + H2O + CO # Reaction 195
+ rate-constant: {A: 2.343e+10, b: 0.73, Ea: -1113.0}
+- equation: HO2 + CH3CHO => CH3 + H2O2 + CO # Reaction 196
+ rate-constant: {A: 3.01e+12, b: 0.0, Ea: 1.1923e+04}
+- equation: CH3 + CH3CHO => CH3 + CH4 + CO # Reaction 197
+ rate-constant: {A: 2.72e+06, b: 1.77, Ea: 5920.0}
+- equation: H + CH2CO (+M) <=> CH2CHO (+M) # Reaction 198
+ type: falloff
+ low-P-rate-constant: {A: 1.012e+42, b: -7.63, Ea: 3854.0}
+ high-P-rate-constant: {A: 4.865e+11, b: 0.422, Ea: -1755.0}
+ Troe: {A: 0.465, T3: 201.0, T1: 1773.0, T2: 5333.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: O + CH2CHO => H + CH2 + CO2 # Reaction 199
+ rate-constant: {A: 1.5e+14, b: 0.0, Ea: 0.0}
+- equation: O2 + CH2CHO => OH + CO + CH2O # Reaction 200
+ rate-constant: {A: 1.81e+10, b: 0.0, Ea: 0.0}
+- equation: O2 + CH2CHO => OH + 2 HCO # Reaction 201
+ rate-constant: {A: 2.35e+10, b: 0.0, Ea: 0.0}
+- equation: H + CH2CHO <=> CH3 + HCO # Reaction 202
+ rate-constant: {A: 2.2e+13, b: 0.0, Ea: 0.0}
+- equation: H + CH2CHO <=> CH2CO + H2 # Reaction 203
+ rate-constant: {A: 1.1e+13, b: 0.0, Ea: 0.0}
+- equation: OH + CH2CHO <=> H2O + CH2CO # Reaction 204
+ rate-constant: {A: 1.2e+13, b: 0.0, Ea: 0.0}
+- equation: OH + CH2CHO <=> HCO + CH2OH # Reaction 205
+ rate-constant: {A: 3.01e+13, b: 0.0, Ea: 0.0}
+- equation: CH3 + C2H5 (+M) <=> C3H8 (+M) # Reaction 206
+ type: falloff
+ low-P-rate-constant: {A: 2.71e+74, b: -16.82, Ea: 1.3065e+04}
+ high-P-rate-constant: {A: 9.43e+12, b: 0.0, Ea: 0.0}
+ Troe: {A: 0.1527, T3: 291.0, T1: 2742.0, T2: 7748.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: O + C3H8 <=> OH + C3H7 # Reaction 207
+ rate-constant: {A: 1.93e+05, b: 2.68, Ea: 3716.0}
+- equation: H + C3H8 <=> C3H7 + H2 # Reaction 208
+ rate-constant: {A: 1.32e+06, b: 2.54, Ea: 6756.0}
+- equation: OH + C3H8 <=> C3H7 + H2O # Reaction 209
+ rate-constant: {A: 3.16e+07, b: 1.8, Ea: 934.0}
+- equation: C3H7 + H2O2 <=> HO2 + C3H8 # Reaction 210
+ rate-constant: {A: 378.0, b: 2.72, Ea: 1500.0}
+- equation: CH3 + C3H8 <=> C3H7 + CH4 # Reaction 211
+ rate-constant: {A: 0.903, b: 3.65, Ea: 7154.0}
+- equation: CH3 + C2H4 (+M) <=> C3H7 (+M) # Reaction 212
+ type: falloff
+ low-P-rate-constant: {A: 3.0e+63, b: -14.6, Ea: 1.817e+04}
+ high-P-rate-constant: {A: 2.55e+06, b: 1.6, Ea: 5700.0}
+ Troe: {A: 0.1894, T3: 277.0, T1: 8748.0, T2: 7891.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: O + C3H7 <=> C2H5 + CH2O # Reaction 213
+ rate-constant: {A: 9.64e+13, b: 0.0, Ea: 0.0}
+- equation: H + C3H7 (+M) <=> C3H8 (+M) # Reaction 214
+ type: falloff
+ low-P-rate-constant: {A: 4.42e+61, b: -13.545, Ea: 1.1357e+04}
+ high-P-rate-constant: {A: 3.613e+13, b: 0.0, Ea: 0.0}
+ Troe: {A: 0.315, T3: 369.0, T1: 3285.0, T2: 6667.0}
+ efficiencies: {H2: 2.0, H2O: 6.0, CH4: 2.0, CO: 1.5, CO2: 2.0, C2H6: 3.0,
+ AR: 0.7}
+- equation: H + C3H7 <=> CH3 + C2H5 # Reaction 215
+ rate-constant: {A: 4.06e+06, b: 2.19, Ea: 890.0}
+- equation: OH + C3H7 <=> C2H5 + CH2OH # Reaction 216
+ rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0}
+- equation: HO2 + C3H7 <=> O2 + C3H8 # Reaction 217
+ rate-constant: {A: 2.55e+10, b: 0.255, Ea: -943.0}
+- equation: HO2 + C3H7 => OH + C2H5 + CH2O # Reaction 218
+ rate-constant: {A: 2.41e+13, b: 0.0, Ea: 0.0}
+- equation: CH3 + C3H7 <=> 2 C2H5 # Reaction 219
+ rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0}
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/postProcess b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/postProcess
new file mode 100644
index 000000000..33bdeb38b
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/postProcess
@@ -0,0 +1,6 @@
+#!/bin/sh
+cd ${0%/*} || exit 1 # Run from this directory
+
+reconstructPar -time 0.2
+postProcess -func sample -time 0.2
+
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/blockMeshDict b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/blockMeshDict
new file mode 100644
index 000000000..8444f3452
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/blockMeshDict
@@ -0,0 +1,176 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ object blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 0.001;
+
+vertices
+(
+ (0 0 -100) // 0
+
+ (3.6 -0.15717942211764708 -100) // 1
+ (3.6 0.15717942211764708 -100) // 2
+
+ (3.85 -0.168094659764705905 -100) // 3
+ (3.85 0.168094659764705905 -100) // 4
+
+ (9.1 -0.39731465035294123 -100) // 5
+ (9.1 0.39731465035294123 -100) // 6
+
+ (0 0 0) // 7
+
+ (3.6 -0.15717942211764708 0) // 8
+ (3.6 0.15717942211764708 0) // 9
+
+ (3.85 -0.168094659764705905 0) // 10
+ (3.85 0.168094659764705905 0) // 11
+
+ (9.1 -0.39731465035294123 0) // 12
+ (9.1 0.39731465035294123 0) // 13
+
+
+ (150 -6.549142588235295 0) // 14
+ (150 6.549142588235295 0) // 15
+
+ (0 0 500) // 16
+
+ (3.6 -0.15717942211764708 500) // 17
+ (3.6 0.15717942211764708 500) // 18
+
+ (3.85 -0.168094659764705905 500) // 19
+ (3.85 0.168094659764705905 500) // 20
+
+ (9.1 -0.39731465035294123 500) // 21
+ (9.1 0.39731465035294123 500) // 22
+
+ (150 -6.549142588235295 500) // 23
+ (150 6.549142588235295 500) // 24
+);
+
+blocks
+(
+ hex ( 0 1 2 0 7 8 9 7) (5 1 20) simpleGrading (1 1 1)
+ hex ( 3 5 6 4 10 12 13 11) (5 1 20) simpleGrading (1 1 1)
+
+ hex ( 7 8 9 7 16 17 18 16) (5 1 70) simpleGrading (1 1 2)
+ hex ( 8 10 11 9 17 19 20 18) (1 1 70) simpleGrading (1 1 2)
+ hex (10 12 13 11 19 21 22 20) (5 1 70) simpleGrading (1 1 2)
+ hex (12 14 15 13 21 23 24 22) (60 1 70) simpleGrading (3 1 2)
+);
+
+boundary
+(
+ inletCH4
+ {
+ type patch;
+ faces
+ (
+ (1 0 0 2)
+ );
+ }
+
+ wallOutside
+ {
+ type wall;
+ faces
+ (
+ (14 15 24 23)
+ );
+ }
+
+ wallTube
+ {
+ type wall;
+ faces
+ (
+ (1 2 9 8)
+ (10 11 9 8)
+ (4 3 10 11)
+ (5 6 13 12)
+ );
+ }
+
+ inletPilot
+ {
+ type patch;
+ faces
+ (
+ (5 3 4 6)
+ );
+ }
+
+ inletAir
+ {
+ type patch;
+ faces
+ (
+ (14 12 13 15)
+ );
+ }
+
+ outlet
+ {
+ type patch;
+ faces
+ (
+ (16 17 18 16)
+ (17 19 20 18)
+ (19 21 22 20)
+ (21 22 24 23)
+ );
+ }
+
+ axis
+ {
+ type empty;
+ faces
+ (
+ (0 7 7 0)
+ (7 16 16 7)
+ );
+ }
+
+ frontAndBack_pos
+ {
+ type wedge;
+ faces
+ (
+ (2 0 7 9)
+ (6 4 11 13)
+
+ (9 7 16 18)
+ (11 9 18 20)
+ (13 11 20 22)
+ (15 13 22 24)
+ );
+ }
+
+ frontAndBack_neg
+ {
+ type wedge;
+ faces
+ (
+ (0 1 8 7)
+ (3 5 12 10)
+
+ (7 8 17 16)
+ (8 10 19 17)
+ (10 12 21 19)
+ (12 14 23 21)
+ );
+ }
+);
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/controlDict b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/controlDict
new file mode 100644
index 000000000..2d0d0ba43
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/controlDict
@@ -0,0 +1,91 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 2.3.0 |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "system";
+ object controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application chenFlaReFoam_Nandula;
+
+startFrom latestTime;
+
+startTime 0;
+
+stopAt endTime;
+
+endTime 0.7;
+
+deltaT 5e-2;
+
+writeControl adjustableRunTime;
+
+writeInterval 0.001;
+
+purgeWrite 0;
+
+writeFormat ascii;
+
+writePrecision 8;
+
+writeCompression on;
+
+timeFormat general;
+
+timePrecision 9;
+
+runTimeModifiable true;
+
+adjustTimeStep yes;
+
+maxCo 0.8;
+
+maxAlphaCo 1;
+
+maxDeltaT 1;
+
+// +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ //
+
+combustion true;
+
+//betacDynamic true;
+
+//staticForm true;
+
+bufferTime 0.5;
+
+//DpDt true;
+
+// Pim true;
+
+// ignition false;
+
+ignBeginTime 0.3;
+
+//incomp_P_operate 101325;
+
+T_flamelet false;
+// ************************************************************************* //
+//collectStats true;
+
+//statsBeginTime 2.03504;
+
+//probing true;
+
+//writeJump 132e-3;
+
+//integrateHRR true;
+
+
+// libs ("libOpenFOAM.so");
+//libs ("libWALE.so");
+//libs ("libmixGCDSM.so");
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/decomposeParDict b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/decomposeParDict
new file mode 100644
index 000000000..de1fc40a1
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/decomposeParDict
@@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: v2106 |
+| \\ / A nd | Website: www.openfoam.com |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ object decomposeParDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+numberOfSubdomains 4;
+
+method scotch;
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/fvSchemes b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/fvSchemes
new file mode 100644
index 000000000..9fdf7a0e1
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/fvSchemes
@@ -0,0 +1,76 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 2.3.0 |
+| \\ / 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 linear;
+// div(phi,U) Gauss linearUpwind grad(U);
+ div(phi,Ulinear) Gauss linearUpwind grad(U);
+ div(phi,scalarUW) Gauss limitedLinear 1;
+ div(phi,H) Gauss limitedLinear 1;
+ div(phi,Zvar) Gauss limitedLinear 1;
+ div(phi,Z) Gauss limitedLinear01 1;
+ div((muEff*dev2(T(grad(U))))) Gauss linear;
+
+ div(phi,c) Gauss limitedLinear01 1;
+ div(phi,cvar) Gauss limitedLinear 1;
+ div(phi,Zcvar) Gauss limitedLinear 1;
+ div(((rho*nuEff)*dev2(T(grad(U))))) Gauss linear;
+
+ div(phid,p) Gauss limitedLinear 1;
+ div(phi,epsilon) Gauss limitedLinear 1;
+ div(phi,k) Gauss limitedLinear 1;
+ div(phiv,p) Gauss limitedLinear 1;
+ div(phi,K) Gauss limitedLinear 1;
+}
+
+laplacianSchemes
+{
+ default Gauss linear corrected;
+ laplacian(phiFilt) Gauss linear limited 0.5;
+}
+
+interpolationSchemes
+{
+ default linear;
+}
+
+snGradSchemes
+{
+ default corrected;
+}
+
+fluxRequired
+{
+ default no;
+ p;
+}
+
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/fvSolution b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/fvSolution
new file mode 100644
index 000000000..7162778ac
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/fvSolution
@@ -0,0 +1,131 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 2.3.0 |
+| \\ / 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 GAMG;
+ tolerance 1e-09;
+ relTol 0.001;
+ smoother GaussSeidel;
+ nPreSweeps 0;
+ nPostSweeps 2;
+ cacheAgglomeration on;
+ agglomerator faceAreaPair;
+ nCellsInCoarsestLevel 10;
+ mergeLevels 1;
+ }
+
+ pFinal
+ {
+ $p;
+ tolerance 1e-09;
+ relTol 0.001;
+ // minIter 1;
+ }
+
+ U
+ {
+ solver PBiCG;
+ preconditioner DILU;
+ tolerance 1e-9;
+ relTol 0.0001;
+ }
+
+ UFinal
+ {
+ $U;
+ tolerance 1e-9;
+ relTol 0.0001;
+ // minIter 1;
+ }
+
+ "(k|epsilon)"
+ {
+ solver PBiCGStab;
+ preconditioner DILU;
+ tolerance 1e-9;
+ relTol 0.001;
+ }
+
+/*
+ "(k|epsilon)"
+ {
+ solver PBiCG;
+ preconditioner DILU;
+ tolerance 1e-09;
+ relTol 0.001;
+ }
+*/
+
+ "(k|epsilon)Final"
+ {
+ $k;
+ tolerance 1e-12;
+ relTol 0.001;
+ // minIter 1;
+ }
+
+ "(Z|H|Zvar|c|cvar|Zcvar).*"
+ {
+ solver PBiCG;
+ preconditioner DILU;
+ tolerance 1e-09;
+ relTol 0.001;
+ // minIter 1;
+ }
+
+}
+
+PIMPLE
+{
+ nOuterCorrectors 3;
+ nCorrectors 2;
+ nNonOrthogonalCorrectors 0;
+ momentumPredictor yes;
+
+ // outerCorrectorResidualControl
+ // {
+ // "(U)"
+ // {
+ // tolerance 1e-04;
+ // relTol 0;
+ // }
+ // }
+}
+
+/*
+relaxationFactors
+{
+ fields
+ {
+ p 0.5;
+ }
+ equations
+ {
+ U 0.8;
+// phiFilt 0.5;
+ }
+}
+*/
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/sample b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/sample
new file mode 100644
index 000000000..3d5d75d9b
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/sample
@@ -0,0 +1,38 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ format ascii;
+ class dictionary;
+ location "system";
+ object sample;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+type sets;
+libs ("libsampling.so");
+
+interpolationScheme cellPoint;
+
+setFormat raw;
+
+sets
+(
+ data
+ {
+ type lineUniform;
+ axis x;
+ start (0 0 0.1);
+ end (0.03 0 0.1);
+ nPoints 7;
+ }
+);
+
+fields ( T );
+
+// ************************************************************************* //
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/sampleDict b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/sampleDict
new file mode 100644
index 000000000..6ea8a99eb
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/sampleDict
@@ -0,0 +1,206 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 1.7.1 |
+| \\ / A nd | Web: www.OpenFOAM.com |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location system;
+ object sampleDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Set output format : choice of
+// xmgr
+// jplot
+// gnuplot
+// raw
+setFormat raw;
+
+// Surface output format. Choice of
+// null : suppress output
+// foamFile : separate points, faces and values file
+// dx : DX scalar or vector format
+// vtk : VTK ascii format
+// raw : x y z value format for use with e.g. gnuplot 'splot'.
+//
+// Note:
+// other formats such as obj, stl, etc can also be written (by proxy)
+// but without any values!
+surfaceFormat vtk;
+
+// interpolationScheme. choice of
+// cell : use cell-centre value only; constant over cells (default)
+// cellPoint : use cell-centre and vertex values
+// cellPointFace : use cell-centre, vertex and face values.
+// 1] vertex values determined from neighbouring cell-centre values
+// 2] face values determined using the current face interpolation scheme
+// for the field (linear, gamma, etc.)
+interpolationScheme cellPoint;
+
+// Fields to sample.
+fields
+(
+TMean
+UMean
+UPrime2Mean
+);
+
+// Set sampling definition: choice of
+// uniform evenly distributed points on line
+// face one point per face intersection
+// midPoint one point per cell, inbetween two face intersections
+// midPointAndFace combination of face and midPoint
+//
+// curve specified points, not nessecary on line, uses
+// tracking
+// cloud specified points, uses findCell
+//
+// axis: how to write point coordinate. Choice of
+// - x/y/z: x/y/z coordinate only
+// - xyz: three columns
+// (probably does not make sense for anything but raw)
+// - distance: distance from start of sampling line (if uses line) or
+// distance from first specified sampling point
+//
+// type specific:
+// uniform, face, midPoint, midPointAndFace : start and end coordinate
+// uniform: extra number of sampling points
+// curve, cloud: list of coordinates
+
+sets
+(
+ Centerline
+ {
+ type uniform;
+ axis distance;
+
+ start (0.00 0 0);
+ end (0.2 0 0);
+ nPoints 100;
+ }
+
+
+ Radial_3
+ {
+ type uniform;
+ axis distance;
+
+ start (0.003 0 0);
+ end (0.003 0 0.045 );
+ nPoints 50;
+ }
+
+ Radial_4
+ {
+ type uniform;
+ axis distance;
+
+ start (0.004 0 0);
+ end (0.004 0 0.045 );
+ nPoints 50;
+ }
+
+ Radial_6
+ {
+ type uniform;
+ axis distance;
+
+ start (0.006 0 0);
+ end (0.006 0 0.045 );
+ nPoints 50;
+ }
+
+ Radial_10
+ {
+ type uniform;
+ axis distance;
+
+ start (0.01 0 0);
+ end (0.01 0 0.045 );
+ nPoints 50;
+ }
+
+ Radial_15
+ {
+ type uniform;
+ axis distance;
+
+ start (0.015 0 0);
+ end (0.015 0 0.045 );
+ nPoints 50;
+ }
+
+ Radial_22p5
+ {
+ type uniform;
+ axis distance;
+
+ start (0.0225 0 0 );
+ end (0.0225 0 0.045 );
+ nPoints 50;
+ }
+
+ Radial_30
+ {
+ type uniform;
+ axis distance;
+
+ start (0.030 0 0.000001 );
+ end (0.030 0 0.045 );
+ nPoints 50;
+ }
+
+
+ Radial_45
+ {
+ type uniform;
+ axis distance;
+
+ start (0.045 0 0);
+ end (0.045 0 0.045 );
+ nPoints 50;
+ }
+
+
+ Radial_60
+ {
+ type uniform;
+ axis distance;
+
+ start (0.060 0 0 );
+ end (0.060 0 0.045 );
+ nPoints 50;
+ }
+
+ Radial_90
+ {
+ type uniform;
+ axis distance;
+
+ start (0.090 0 0.000001 );
+ end (0.090 0 0.045 );
+ nPoints 50;
+ }
+
+);
+
+
+// Surface sampling definition: choice of
+// plane : values on plane defined by point, normal.
+// patch : values on patch.
+//
+// 1] patches are not triangulated by default
+// 2] planes are always triangulated
+// 3] iso-surfaces are always triangulated
+surfaces ();
+
+// *********************************************************************** //
+
diff --git a/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/setFieldsDict b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/setFieldsDict
new file mode 100644
index 000000000..d6f2e1a52
--- /dev/null
+++ b/examples/dfLowMachFoam/2DSandiaD_DeePFGM/system/setFieldsDict
@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Version: 7
+ \\/ M anipulation |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "system";
+ object setFieldsDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+defaultFieldValues
+(
+ volScalarFieldValue T 300
+ volScalarFieldValue N2 0.77
+ volScalarFieldValue O2 0.23
+ volScalarFieldValue CH4 0
+);
+
+regions
+(
+ boxToCell
+ {
+ box (0 -10 -100) (0.0036 10 0);
+ fieldValues
+ (
+ volScalarFieldValue CH4 0.1561
+ volScalarFieldValue O2 0.1966
+ volScalarFieldValue N2 0.6473
+ );
+ }
+);
+
+
+// ************************************************************************* //
diff --git a/src/dfCombustionModels/FGM/DeePFGM/DeePFGM.C b/src/dfCombustionModels/FGM/DeePFGM/DeePFGM.C
new file mode 100644
index 000000000..a72a84e2d
--- /dev/null
+++ b/src/dfCombustionModels/FGM/DeePFGM/DeePFGM.C
@@ -0,0 +1,510 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
+ \\/ M anipulation |
+-------------------------------------------------------------------------------
+License
+ This file is part of OpenFOAM.
+
+ OpenFOAM is free software: you can redistribute it and/or modify it
+ under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+ ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+ FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+ for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with OpenFOAM. If not, see .
+
+\*---------------------------------------------------------------------------*/
+
+#include "DeePFGM.H"
+
+// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
+
+template
+Foam::combustionModels::DeePFGM::DeePFGM
+(
+ const word& modelType,
+ ReactionThermo& thermo,
+ const compressibleTurbulenceModel& turb,
+ const word& combustionProperties
+)
+:
+ baseFGM(modelType, thermo, turb, combustionProperties),
+ tableSolver(
+ baseFGM::speciesNames_,
+ baseFGM::scaledPV_,
+ baseFGM::flameletT_,
+ baseFGM::Ycmaxall_
+ )
+{
+ //- retrieval data from table
+ PyObject* module=initialize_module();
+ PyObject* func=initialize_function(module);
+ retrieval(module,func);
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
+
+template
+Foam::combustionModels::DeePFGM::~DeePFGM()
+{}
+
+template
+PyObject* Foam::combustionModels::DeePFGM::initialize_module()
+{
+ Py_Initialize();
+ if (!Py_IsInitialized())
+ {
+ std::cout << "python init failed" << std::endl;
+ }
+ // 2、初始化python系统文件路径，保证可以访问到 .py文件
+ PyRun_SimpleString("import sys");
+ PyRun_SimpleString("sys.path.append('/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference')");
+ PyObject* module = PyImport_ImportModule("inference");
+ if (module == nullptr)
+ {
+ std::cout <<"module not found: inference" << std::endl;
+ }
+ return module;
+}
+
+template
+PyObject* Foam::combustionModels::DeePFGM::initialize_function(PyObject* module)
+{
+ PyObject* func = PyObject_GetAttrString(module, "FGM");
+ if (!func || !PyCallable_Check(func))
+ {
+ std::cout <<"function not found: FGM" << std::endl;
+ }
+ else
+ {
+ cout <<"function found: FGM" << std::endl;
+ }
+ return func;
+}
+
+template
+void Foam::combustionModels::DeePFGM::correct()
+{
+ //- initialize flame kernel
+ baseFGM::initialiseFalmeKernel();
+
+ //- solve transport equation
+ baseFGM::transport();
+
+ //update enthalpy using lookup data
+ if(!(this->solveEnthalpy_))
+ {
+ this->He_ = this->Z_*(H_fuel-H_ox) + H_ox;
+ }
+ PyObject* module=initialize_module();
+ PyObject* func=initialize_function(module);
+ //- retrieval data from table
+ retrieval(module,func);
+
+}
+template
+int Foam::combustionModels::DeePFGM::prediction
+ (
+ double z_s[], double c_s[], double gz_s[], double gc_s[],
+ double gzc_s[], int phinum, int dimension,double* result,int size,PyObject* module,PyObject* func
+ )
+ {
+ PyObject* py_phinum = PyLong_FromLong(phinum);
+ PyObject* py_dimension = PyLong_FromLong(dimension);
+ // 将C++的数组参数转换为Python列表对象
+ PyObject* py_z = PyList_New(size);
+ PyObject* py_c = PyList_New(size);
+ PyObject* py_gz = PyList_New(size);
+ PyObject* py_gc = PyList_New(size);
+ PyObject* py_gzc = PyList_New(size);
+ for (int i = 0; i < size; i++) {
+ PyList_SET_ITEM(py_z, i, PyFloat_FromDouble(z_s[i]));
+ PyList_SET_ITEM(py_c, i, PyFloat_FromDouble(c_s[i]));
+ PyList_SET_ITEM(py_gz, i, PyFloat_FromDouble(gz_s[i]));
+ PyList_SET_ITEM(py_gc, i, PyFloat_FromDouble(gc_s[i]));
+ PyList_SET_ITEM(py_gzc, i, PyFloat_FromDouble(gzc_s[i]));
+ }
+ PyObject* args = PyTuple_Pack(7, py_z, py_c,py_gz,py_gc,py_gzc,py_phinum,py_dimension);
+ PyObject* py_result = PyObject_CallObject(func, args);
+ // 5、调用函数
+ // PyObject_CallObject(func, nullptr);
+ if (PyList_Check(py_result)) {
+ for (int i = 0; i < size; i++) {
+ PyObject* item = PyList_GetItem(py_result, i);
+ double value = PyFloat_AsDouble(item);
+ result[i] = value;
+ // Info<
+void Foam::combustionModels::DeePFGM::retrieval(PyObject* module,PyObject* func)
+{
+
+ tmp tk(this->turbulence().k());
+ volScalarField& k = const_cast(tk());
+ scalarField& kCells =k.primitiveFieldRef();
+
+ tmp tepsilon(this->turbulence().epsilon());
+ volScalarField& epsilon = const_cast(tepsilon());
+ const scalarField& epsilonCells =epsilon.primitiveFieldRef();
+
+ tmp tmu = this->turbulence().mu();
+ volScalarField& mu = const_cast(tmu());
+ scalarField& muCells = mu.primitiveFieldRef();
+ int dim=2;
+ // Info<< "pause1" << endl;
+ //- calculate reacting flow solution
+ const scalar Zl{z_Tb5[0]};
+ const scalar Zr{z_Tb5[NZL-1]};
+
+
+ dimensionedScalar TMin("TMin",dimensionSet(0,0,0,1,0,0,0),200.0);
+ dimensionedScalar TMax("TMax",dimensionSet(0,0,0,1,0,0,0),3000.0);
+
+ forAll(this->rho_, celli)
+ {
+
+ this->chi_ZCells_[celli] = 1.0*epsilonCells[celli]/kCells[celli] *this->ZvarCells_[celli];
+
+ this->chi_ZcCells_[celli] = 1.0*epsilonCells[celli]/kCells[celli] *this->ZcvarCells_[celli];
+
+ if(this->ZCells_[celli] >= Zl && this->ZCells_[celli] <= Zr
+ && this->combustion_ && this->cCells_[celli] > this->small)
+ {
+
+ double kc_s = this->lookup1d(NZL,z_Tb5,this->ZCells_[celli],kctau_Tb5);
+ double tau = this->lookup1d(NZL,z_Tb5,this->ZCells_[celli],tau_Tb5);
+ double sl = this->lookup1d(NZL,z_Tb5,this->ZCells_[celli],sl_Tb5);
+ double dl = this->lookup1d(NZL,z_Tb5,this->ZCells_[celli],th_Tb5);
+
+ this->chi_cCells_[celli] =
+ this->RANSsdrFLRmodel(this->cvarCells_[celli],epsilonCells[celli],
+ kCells[celli],muCells[celli]/this->rho_[celli],
+ sl,dl,tau,kc_s,this->rho_[celli]);
+
+ }
+ else
+ {
+ this->chi_cCells_[celli] = 1.0*epsilonCells[celli]/kCells[celli]*this->cvarCells_[celli];
+ }
+ }
+ // = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = =
+ int Ncells = this->chi_cCells_.size();
+ /*new double[Ncells]{}*/
+ double gz_s[Ncells]={};
+ double gcz_s[Ncells]={};
+ double Ycmax_s[Ncells]={};
+ double gc_s[Ncells]={};
+ double z_s[Ncells]={};
+ double Wt_s[Ncells]={};
+ double mu_s[Ncells]={};
+ double c_s[Ncells]={};
+
+ // double gz{cal_gvar(this->ZCells_[celli],this->ZvarCells_[celli])};
+ // double gcz{cal_gcor(this->ZCells_[celli],this->cCells_[celli],this->ZvarCells_[celli],this->cvarCells_[celli],this->ZcvarCells_[celli])},
+ // Ycmax{-1.0},cNorm{},gc{};
+
+ forAll(this->rho_, celli)
+ {
+ z_s[celli]=this->ZCells_[celli];
+ gz_s[celli]=cal_gvar(this->ZCells_[celli],this->ZvarCells_[celli]);
+ gcz_s[celli]=cal_gcor(this->ZCells_[celli],this->cCells_[celli],this->ZvarCells_[celli],this->cvarCells_[celli],this->ZcvarCells_[celli]);
+ gc_s[celli]=cal_gvar(this->cCells_[celli],this->cvarCells_[celli],Ycmax_s[0]);
+ }
+ if(scaledPV_)
+ {
+ forAll(this->rho_, celli)
+ {
+ c_s[celli]=this->cCells_[celli];
+ }
+ // Info<<"Sclaed PV"<cCells_[celli];
+ // }
+ // else
+ // {
+ // Ycmax = this->lookup5d(NZ,z_Tb3,this->ZCells_[celli],
+ // NC,c_Tb3,0.0,
+ // NGZ,gz_Tb3,gz,
+ // NGC,gc_Tb3,0.0,
+ // NZC,gzc_Tb3,0.0,
+ // Ycmax_Tb3);
+ // Ycmax = max(this->smaller,Ycmax);
+ // cNorm = this->cCells_[celli]/Ycmax;
+ // }
+
+ // gc = cal_gvar(this->cCells_[celli],this->cvarCells_[celli],Ycmax);
+
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,4,dim,Wt_s,Ncells,module,func);
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,7,dim,mu_s,Ncells,module,func);
+ // Info<< "pause4" << endl;
+ forAll(this->rho_, celli)
+ {
+ this->WtCells_[celli]=Wt_s[celli];
+ muCells[celli]=mu_s[celli];
+ }
+
+ // -------------------- Yis begin ------------------------------
+ if(NY > 0)
+ {
+ double YH2O_s[Ncells]={};
+ double YCO_s[Ncells]={};
+ double YCO2_s[Ncells]={};
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,8,dim,YH2O_s,Ncells,module,func);
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,9,dim,YCO_s,Ncells,module,func);
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,10,dim,YCO2_s,Ncells,module,func);
+ forAll(this->rho_, celli)
+ {
+ this->YH2OCells_[celli]=YH2O_s[celli];
+ this->YCOCells_[celli]=YCO_s[celli];
+ this->YCO2Cells_[celli]=YCO2_s[celli];
+ }
+ }
+
+ // -------------------- Yis end ------------------------------
+
+ double omegac_s[Ncells]={};
+ double comegac_s[Ncells]={};
+ double zomegac_s[Ncells]={};
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,0,dim,omegac_s,Ncells,module,func);
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,1,dim,comegac_s,Ncells,module,func);
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,2,dim,zomegac_s,Ncells,module,func);
+ forAll(this->rho_, celli)
+ {
+ this->omega_cCells_[celli]=(omegac_s[celli]+ (
+ scaledPV_
+ ? this->chi_ZCells_[celli]*this->cCells_[celli]
+ *lookup2d(NZ,z_Tb3,this->ZCells_[celli],
+ NGZ,gz_Tb3,gz_s[celli],d2Yeq_Tb2)
+ : 0.0
+ ))*this->rho_[celli];
+ this->cOmega_cCells_[celli]=comegac_s[celli]*this->rho_[celli];
+ this->ZOmega_cCells_[celli]=zomegac_s[celli]*this->rho_[celli];
+ }
+ forAll(this->rho_, celli)
+ {
+ if(this->ZCells_[celli] <= Zl || this->ZCells_[celli] >= Zr
+ || !this->combustion_ || this->cCells_[celli] <= this->small)
+ {
+ this->omega_cCells_[celli] = 0.0;
+ this->cOmega_cCells_[celli] = 0.0;
+ this->ZOmega_cCells_[celli] = 0.0;
+ }
+ }
+
+ if(flameletT_)
+ {
+ double T_s[Ncells]={};
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,6,dim,T_s,Ncells,module,func);
+ forAll(this->rho_, celli)
+ {
+ this->TCells_[celli]=T_s[celli];
+ }
+ }
+ else
+ {
+ double Cp_s[Ncells]={};
+ double Hf_s[Ncells]={};
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,3,dim,Cp_s,Ncells,module,func);
+ prediction(z_s,c_s,gz_s,gc_s,gcz_s,5,dim,Hf_s,Ncells,module,func);
+ forAll(this->rho_, celli)
+ {
+ this->CpCells_[celli]=Cp_s[celli];
+ this->HfCells_[celli]=Hf_s[celli];
+ this->TCells_[celli] = (this->HCells_[celli]-this->HfCells_[celli])/this->CpCells_[celli]
+ + this->T0;
+ }
+ }
+
+
+ //-----------update boundary---------------------------------
+
+ forAll(this->rho_.boundaryFieldRef(), patchi)
+ {
+ fvPatchScalarField& pZ = this->Z_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pZvar = this->Zvar_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pH = this->He_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pWt = this->Wt_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pCp = this->Cp_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pHf = this->Hf_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pT = this->T_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& prho_ = this->rho_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pomega_c = this->omega_c_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pcOmega_c = this->cOmega_c_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pZOmega_c = this->ZOmega_c_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pc = this->c_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pcvar = this->cvar_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pZcvar = this->Zcvar_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pchi_Z = this->chi_Z_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pchi_c = this->chi_c_.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pchi_Zc = this->chi_Zc_.boundaryFieldRef()[patchi];
+
+ tmp tmuw = this->turbulence().mu(patchi);
+ scalarField& pmu = const_cast(tmuw());
+
+ fvPatchScalarField& pk = k.boundaryFieldRef()[patchi];
+ fvPatchScalarField& pepsilon = epsilon.boundaryFieldRef()[patchi];
+
+
+ forAll(prho_, facei)
+ {
+
+ pchi_Z[facei] = 1.0*pepsilon[facei]/pk[facei] *pZvar[facei];
+
+ pchi_Zc[facei]= 1.0*pepsilon[facei]/pk[facei] *pZcvar[facei];
+
+ if(pZ[facei] >= Zl && pZ[facei] <= Zr
+ && this->combustion_ && pc[facei] > this->small)
+ {
+
+ double kc_s = lookup1d(NZL,z_Tb5,pZ[facei],kctau_Tb5);
+ double tau = lookup1d(NZL,z_Tb5,pZ[facei],tau_Tb5);
+ double sl = lookup1d(NZL,z_Tb5,pZ[facei],sl_Tb5);
+ double dl = lookup1d(NZL,z_Tb5,pZ[facei],th_Tb5);
+
+ pchi_c[facei] =
+ RANSsdrFLRmodel(pcvar[facei],pepsilon[facei],
+ pk[facei],pmu[facei]/prho_[facei],
+ sl,dl,tau,kc_s,prho_[facei]);
+ }
+ else
+ {
+ pchi_c[facei] = 1.0*pepsilon[facei]/pk[facei] *pcvar[facei];
+
+ }
+ }
+ // = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = =
+
+ int Npatch=pZ.size();
+ double z_t[Npatch]={};
+ double gz_t[Npatch]={};
+ double gcz_t[Npatch]={};
+ double c_t[Npatch]={};
+ double gc_t[Npatch]={};
+ double Wt_t[Npatch]={};
+ double mu_t[Npatch]={};
+ forAll(prho_, facei)
+ {
+ z_t[facei]=pZ[facei];
+ gz_t[facei]=cal_gvar(pZ[facei],pZvar[facei]);
+ gcz_t[facei]=cal_gcor(pZ[facei],pc[facei],pZvar[facei],pcvar[facei],pZcvar[facei]);
+ gc_t[facei]=cal_gvar(pc[facei],pcvar[facei],Ycmax_s[0]);
+
+ }
+ if(scaledPV_)
+ {
+ forAll(prho_, facei)
+ {
+ c_t[facei]=pc[facei];
+ }
+ }
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,4,dim,Wt_t,Npatch,module,func);
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,7,dim,mu_t,Npatch,module,func);
+ forAll(prho_, facei)
+ {
+ pWt[facei]=Wt_t[facei];
+ pmu[facei]=mu_t[facei];
+ }
+ double omegac_t[Npatch]={};
+ double comegac_t[Npatch]={};
+ double zomegac_t[Npatch]={};
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,0,dim,omegac_t,Npatch,module,func);
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,1,dim,comegac_t,Npatch,module,func);
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,2,dim,zomegac_t,Npatch,module,func);
+ forAll(prho_, facei)
+ {
+ pomega_c[facei]=(omegac_t[facei]+ (
+ scaledPV_
+ ? pchi_Z[facei]*pc[facei]
+ *lookup2d(NZ,z_Tb3,pZ[facei],
+ NGZ,gz_Tb3,gz_t[facei],d2Yeq_Tb2)
+ : 0.0
+ ))*prho_[facei];
+ pcOmega_c[facei]=comegac_t[facei]*prho_[facei];
+ pZOmega_c[facei]=zomegac_t[facei]*prho_[facei];
+ }
+ forAll(prho_, facei)
+ {
+ if(pZ[facei] <= Zl || pZ[facei] >= Zr
+ || !this->combustion_ || pc[facei] <= this->small)
+ {
+ pomega_c[facei] = 0.0;
+ pcOmega_c[facei] = 0.0;
+ pZOmega_c[facei] = 0.0;
+ }
+ }
+ if(flameletT_)
+ {
+ double T_t[Npatch]={};
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,6,dim,T_t,Npatch,module,func);
+ forAll(prho_, facei)
+ {
+ pT[facei]=T_t[facei];
+ }
+ }
+ else
+ {
+ double Cp_t[Npatch]={};
+ double Hf_t[Npatch]={};
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,3,dim,Cp_t,Npatch,module,func);
+ prediction(z_t,c_t,gz_t,gc_t,gcz_t,5,dim,Hf_t,Npatch,module,func);
+ forAll(prho_, facei)
+ {
+ pCp[facei]=Cp_t[facei];
+ pHf[facei]=Hf_t[facei];
+ pT[facei] = (pH[facei]-pHf[facei])/pCp[facei]
+ + this->T0;
+ }
+ }
+ this->T_.max(TMin);
+ this->T_.min(TMax);
+
+ if(this->mesh().time().timeIndex() > 0)
+ {
+ dimensionedScalar p_operateDim("p_operateDim", dimensionSet(1,-1,-2,0,0,0,0),this->incompPref_);
+
+ if(this->incompPref_ > 0.0)
+ {
+ this->rho_ = p_operateDim*this->psi_;
+ }
+ else
+ {
+ this->rho_ = this->p_*this->psi_;
+ }
+ }
+ this->rho_inRhoThermo_ = this->rho_;
+
+}
+}
+
+// ************************************************************************* //
diff --git a/src/dfCombustionModels/FGM/DeePFGM/DeePFGM.H b/src/dfCombustionModels/FGM/DeePFGM/DeePFGM.H
new file mode 100644
index 000000000..b7bb35c0c
--- /dev/null
+++ b/src/dfCombustionModels/FGM/DeePFGM/DeePFGM.H
@@ -0,0 +1,124 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
+ \\/ M anipulation |
+-------------------------------------------------------------------------------
+License
+ This file is part of OpenFOAM.
+
+ OpenFOAM is free software: you can redistribute it and/or modify it
+ under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+ ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+ FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+ for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with OpenFOAM. If not, see .
+
+Class
+ Foam::combustionModels::flareFGM
+
+Description
+ Partially stirred reactor turbulent combustion model.
+
+ This model calculates a finite rate, based on both turbulence and chemistry
+ time scales. Depending on mesh resolution, the Cmix parameter can be used
+ to scale the turbulence mixing time scale.
+
+SourceFiles
+ flareFGM.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef DeePFGM_H
+#define DeePFGM_H
+
+#include "baseFGM.H"
+#include "tableSolver.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace combustionModels
+{
+
+/*---------------------------------------------------------------------------*\
+ Class flareFGM Declaration
+\*---------------------------------------------------------------------------*/
+
+template
+class DeePFGM
+:
+ public baseFGM,
+ public tableSolver
+{
+
+public:
+
+ //- Runtime type information
+ TypeName("DeePFGM");
+
+
+ // Constructors
+
+ //- Construct from components
+ DeePFGM
+ (
+ const word& modelType,
+ ReactionThermo& thermo,
+ const compressibleTurbulenceModel& turb,
+ const word& combustionProperties
+ );
+
+ //- Disallow default bitwise copy construction
+ DeePFGM(const DeePFGM&);
+
+
+ //- Destructor
+ virtual ~DeePFGM();
+
+
+ // Member Operators
+
+ //- Correct combustion rate
+ virtual void correct();
+
+ //- retrieval data from table
+ // virtual void retrieval();
+
+ virtual void retrieval(PyObject* module,PyObject* func);
+ virtual int prediction(
+ double z_s[], double c_s[], double gz_s[], double gc_s[],
+ double gcz_s[], int phinum, int dimension,double* result,int size,PyObject* module,PyObject* func
+ );
+ virtual PyObject* initialize_module();
+ virtual PyObject* initialize_function(PyObject* module);
+
+ //- Disallow default bitwise assignment
+ void operator=(const DeePFGM&) = delete;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace combustionModels
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#ifdef NoRepository
+ #include "DeePFGM.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/dfCombustionModels/FGM/DeePFGM/DeePFGMs.C b/src/dfCombustionModels/FGM/DeePFGM/DeePFGMs.C
new file mode 100644
index 000000000..02f12d30c
--- /dev/null
+++ b/src/dfCombustionModels/FGM/DeePFGM/DeePFGMs.C
@@ -0,0 +1,41 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration | Website: https://openfoam.org
+ \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
+ \\/ M anipulation |
+-------------------------------------------------------------------------------
+License
+ This file is part of OpenFOAM.
+
+ OpenFOAM is free software: you can redistribute it and/or modify it
+ under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+ ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+ FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+ for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with OpenFOAM. If not, see .
+
+\*---------------------------------------------------------------------------*/
+
+#include "DeePFGM.H"
+#include "makeCombustionTypes.H"
+
+#include "basicThermo.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+ makeCombustionTypes(DeePFGM, basicThermo);
+
+}
+
+// ************************************************************************* //
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--- /dev/null
+++ b/src/dfCombustionModels/FGM/DeePFGM/FGMinference/inference.py
@@ -0,0 +1,115 @@
+import numpy as np
+import torch
+from scipy import stats
+from scipy.special import inv_boxcox
+import torch
+import torch.nn as nn
+import torch.nn.functional as F
+from torch.autograd import Variable
+class BasicBlock(nn.Module):
+ def __init__(self, n_input,n_hidden):
+ super(BasicBlock, self).__init__()
+ self.hidden1 = nn.Linear(n_input,n_hidden)
+ self.hidden2 = nn.Linear(n_hidden,n_input)
+ self.relu = nn.ReLU()
+
+ def forward(self, x):
+ identity = x
+
+ out = self.hidden1(x)
+ out = self.relu(out)
+ out = self.hidden2(out)
+ out += identity
+ out = self.relu(out)
+
+ return out
+class ResNet(nn.Module):
+ def __init__(self,block,block_num,neuron_num,n_input,n_output):
+ super(ResNet, self).__init__()
+ self.neuron=neuron_num
+ self.input_layer=nn.Linear(n_input,self.neuron)
+ self.res_layer = self._make_layer(block,block_num)
+ self.output_layer=nn.Linear(self.neuron,n_output)
+ def _make_layer(self, block,block_num):
+ downsample = None
+ layers = []
+ for i in range(1, block_num):
+ layers.append(block(self.neuron,self.neuron))
+ return nn.Sequential(*layers)
+ def forward(self,input):
+ out = self.input_layer(input)
+ out = F.relu(out)
+ out = self.res_layer(out)
+ out = F.relu(out)
+ out = self.output_layer(out)
+ return out
+def FGM(z,c,gz,gc,gzc,phinum,dimension):
+ try:
+ z=np.array(z)
+ c=np.array(c)
+ gz=np.array(gz)
+ gc=np.array(gc)
+ gzc=np.array(gzc)
+
+ # layers_s=[6,6,6,6,6,6,6,6,6,6,6]
+ # neurons_s=[200,200,200,100,100,100,100,100,100,200,100]
+ name_s=["omegac","omegac","omegac","cp","cp","cp","T","T","YH2O","YCO","YCO2"]
+ phis_s=[3,3,3,3,3,3,2,2,1,1,1]
+ diff_s=[0,0,0,3,3,3,6,6,8,9,10]
+ name=name_s[phinum]
+ layers=9
+ neurons=300
+ phis=phis_s[phinum]
+ diff=diff_s[phinum]
+ dimension=4
+ worktype="data-4D"
+ networktype="networks-4D"
+ x=np.stack((z, c , gz ,gc), axis=1)
+ xmax=np.load("/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference/"+worktype+"/process_params/xmax.npy")
+ xmin=np.load("/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference/"+worktype+"/process_params/xmin.npy")
+ for i in range(4):
+ x[:,i]=(x[:,i]-xmin[i])/(xmax[i]-xmin[i])
+ x = torch.tensor(x,dtype=torch.float)
+ # print(np.shape(x))
+ # print(name)
+ # device = torch.device("cuda") # 使用CUDA
+ # else:
+ # device = torch.device("cpu") # 使用CPU
+ # print("当前设备：",device)
+ x=x.to("cuda")
+ model = ResNet(BasicBlock,layers,neurons,dimension,phis)
+ params = torch.load("/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference/"+networktype+"/model_res_"+name+".pth") # 加载参数
+ model.load_state_dict(params) # 应用到网络结构中
+ model=model.to("cuda")
+ # print(params)
+ # print("begin inference")
+ with torch.no_grad():
+ predictions=model(x)
+ # print("end inference")
+ predictions=predictions.to("cpu")
+ predictions=predictions.data.numpy()
+ phimax=np.load("/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference/"+worktype+"/process_params/phimax_"+name+".npy")
+ phimin=np.load("/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference/"+worktype+"/process_params/phimin_"+name+".npy")
+ lambdas=np.load("/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference/"+worktype+"/process_params/lambdas_"+name+".npy")
+ constants=np.load("/home/whx/deepflame-dev/src/dfCombustionModels/FGM/DeePFGM/FGMinference/"+worktype+"/process_params/constants_"+name+".npy")
+ ind=phinum
+ predictions[:,ind-diff]=predictions[:,ind-diff]*(phimax[ind]-phimin[ind])+phimin[ind]
+ # print("begin inv_coxbox")
+ predictions[:,ind-diff]=inv_boxcox(predictions[:,ind-diff], lambdas[ind])-constants[ind]
+ # print("end inv_coxbox")
+ # phi_mean=np.mean(ytrue[:,ind])
+ nan_positions = np.isnan(predictions[:,ind-diff])
+ # non_nan_positions = ~nan_positions
+ # 从原始数组中提取所有非NaN元素
+ predictions[nan_positions,ind-diff]=0
+ result=predictions[:,ind-diff]
+ result = result.tolist()
+ # if(phinum==0):
+ # print("x",x)
+ # print("z",z)
+ # print("c",c)
+ # print("res",result)
+ return result
+
+ except Exception as e:
+ print(e.args)
\ No newline at end of file
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diff --git a/src/dfCombustionModels/FGM/DeePFGM/README.md b/src/dfCombustionModels/FGM/DeePFGM/README.md
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index 000000000..d2b2380a9
--- /dev/null
+++ b/src/dfCombustionModels/FGM/DeePFGM/README.md
@@ -0,0 +1,13 @@
+flareFGM –– Turbulcence-Chemistry Interaction Model
+==============
+
+Description
+--------------
+The FlaRe (Flamelet Revised) model is a derivative of the FGM approach, with particular focus on the scalar dissipation rate and statistical correlation modelling. Like other FGM models, a flamelet library is required for the flareFGM model to run in DeepFlame.
+
+
+References
+-----------
+[RANS]: Z. Chen, S. Ruan, N. Swaminathan. “Simulation of turbulent lifted methane jet flames: Effects of air-dilution and transient flame propagation”. Combust. Flame, 162:703-716 (2015).
+
+[LES]: Z. X. Chen, I. Langella, N. Swaminathan, M. Stöhr, W. Meier, H. Kolla. “Large Eddy Simulation of a dual swirl gas turbine combustor: Flame/flow structures and stabilisation under thermoacoustically stable and unstable conditions”. Combust. Flame, 203:279-300 (2019).