add combustion model

Allwmake

@@ -12,6 +12,7 @@ wmake src/dfChemistryModel
 wmake src/TurbulenceModels/compressible
 wmake src/regionModels/surfaceFilmModels
 src/lagrangian/Allwmake $targetType $*
+wmake src/dfCombustionModels
 
 wmake applications/solvers/df0DFoam
 wmake applications/solvers/dfLowMachFoam

applications/solvers/df0DFoam/EEqn.H

@@ -1,5 +1,5 @@
 {
     volScalarField& he = thermo.he();
     if (constProp == "volume") he[0] = u0 + p[0]/rho[0];
-    chemistry.correctThermo();
+    chemistry->correctThermo();
 }

applications/solvers/df0DFoam/Make/options

@@ -9,7 +9,8 @@ EXE_INC = -std=c++14 \
     -I$(LIB_SRC)/sampling/lnInclude \
     -I$(LIB_SRC)/dynamicFvMesh/lnInclude \
     -I$(DF_SRC)/CanteraMixture/lnInclude \
-    -I$(DF_SRC)/dfChemistryModel \
+    -I$(DF_SRC)/dfChemistryModel/lnInclude \
+    -I$(DF_SRC)/dfCombustionModels/lnInclude \
     -I$(CANTERA_ROOT)/include \
     -I$(TORCH_ROOT)/include \
     -I$(TORCH_ROOT)/include/torch/csrc/api/include
@@ -27,6 +28,7 @@ EXE_LIBS = \
     -ldfCompressibleTurbulenceModels \
     -lCanteraMixture \
     -ldfChemistryModel \
+	-ldfCombustionModels \
     $(CANTERA_ROOT)/lib/libcantera.so \
     $(TORCH_ROOT)/lib/libtorch.so \
     $(TORCH_ROOT)/lib/libc10.so \

applications/solvers/df0DFoam/YEqn.H

@@ -10,7 +10,8 @@ tmp<fv::convectionScheme<scalar>> mvConvection
 );
 
 {
-    chemistry.solve(mesh.time().deltaTValue());
+    //chemistry.solve(mesh.time().deltaTValue());
+    combustion->correct();
 
     volScalarField Yt(0.0*Y[0]);
 
@@ -24,7 +25,8 @@ tmp<fv::convectionScheme<scalar>> mvConvection
             (
                 fvm::ddt(rho, Yi)
              ==
-                chemistry.RR(i)
+                //chemistry.RR(i)
+                combustion->R(Yi)
               //+ fvOptions(rho, Yi)
             );
 

applications/solvers/df0DFoam/createFields.H

@@ -87,12 +87,16 @@ multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
 #include "createMRF.H"
 //#include "createFvOptions.H"
 
-
-
-dfChemistryModel<basicThermo> chemistry(thermo);
-PtrList<volScalarField>& Y = chemistry.Y();
-const word inertSpecie(chemistry.lookup("inertSpecie"));
-const label inertIndex(chemistry.species()[inertSpecie]);
+Info<< "Creating reaction model\n" << endl;
+autoPtr<CombustionModel<basicThermo>> combustion
+(
+    CombustionModel<basicThermo>::New(thermo, turbulence())
+);
+Info<< "end Creating reaction model\n" << endl;
+dfChemistryModel<basicThermo>* chemistry = combustion->chemistry();
+PtrList<volScalarField>& Y = chemistry->Y();
+const word inertSpecie(chemistry->lookup("inertSpecie"));
+const label inertIndex(chemistry->species()[inertSpecie]);
 
 forAll(Y, i)
 {
@@ -116,4 +120,4 @@ if
 }
 
 volScalarField& he = thermo.he();
-scalar u0 = he[0] - p[0]/rho[0];
+scalar u0 = he[0] - p[0]/rho[0];

applications/solvers/df0DFoam/df0DFoam.C

@@ -46,6 +46,8 @@ Description
 //#include "fvOptions.H"
 #include "localEulerDdtScheme.H"
 #include "fvcSmooth.H"
+#include "basicThermo.H"
+#include "CombustionModel.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 

applications/solvers/dfHighSpeedFoam/Make/options

@@ -10,7 +10,7 @@ EXE_INC = -std=c++14 \
     -I$(LIB_SRC)/dynamicFvMesh/lnInclude \
     -I$(LIB_SRC)/meshTools/lnInclude \
     -I$(DF_SRC)/CanteraMixture/lnInclude \
-    -I$(DF_SRC)/dfChemistryModel \
+    -I$(DF_SRC)/dfChemistryModel/lnInclude \
     -I$(CANTERA_ROOT)/include \
     -I$(TORCH_ROOT)/include \
     -I$(TORCH_ROOT)/include/torch/csrc/api/include

applications/solvers/dfLowMachFoam/Make/options

@@ -13,7 +13,7 @@ EXE_INC = -std=c++14 \
     -I$(LIB_SRC)/dynamicFvMesh/lnInclude \
     -I$(LIB_SRC)/Pstream/mpi \
     -I$(DF_SRC)/CanteraMixture/lnInclude \
-    -I$(DF_SRC)/dfChemistryModel \
+    -I$(DF_SRC)/dfChemistryModel/lnInclude \
     -I$(CANTERA_ROOT)/include \
     -I$(TORCH_ROOT)/include \
     -I$(TORCH_ROOT)/include/torch/csrc/api/include

applications/solvers/dfSprayFoam/Make/options

@@ -23,7 +23,7 @@ EXE_INC = -std=c++14 \
     -I$(LIB_SRC)/thermophysicalModels/thermophysicalProperties/lnInclude \
     -I$(DF_SRC)/thermophysicalModels/SLGThermo/lnInclude \
     -I$(DF_SRC)/CanteraMixture/lnInclude \
-    -I$(DF_SRC)/dfChemistryModel \
+    -I$(DF_SRC)/dfChemistryModel/lnInclude \
     -I$(CANTERA_ROOT)/include \
     -I$(TORCH_ROOT)/include \
     -I$(TORCH_ROOT)/include/torch/csrc/api/include

examples/zeroD_cubicReactor/H2/cvodeSolver/constant/combustionProperties

@@ -0,0 +1,20 @@
+/*--------------------------------*- 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  laminar;
+
+// ************************************************************************* //

src/dfChemistryModel/dfChemistryModel.C

@@ -409,13 +409,13 @@ Foam::scalar Foam::dfChemistryModel<ThermoType>::torchSolve
             Cantera::ReactorNet sim;
             sim.addReactor(react);
             setNumerics(sim);
-            sim.advance(deltaT);
+            sim.advance(deltaT[cellI]);
 
             CanteraGas_->getMassFractions(yTemp_.begin());
 
             for (size_t i=0; i<CanteraGas_->nSpecies(); i++)
             {
-                RR_[i][cellI] = (yTemp_[i] - yPre_[i])*rhoi/deltaT;
+                RR_[i][cellI] = (yTemp_[i] - yPre_[i])*rhoi/deltaT[cellI];
                 const scalar hc = CanteraGas_->Hf298SS(i)/CanteraGas_->molecularWeight(i); // J/kg
                 Qdot_[cellI] -= hc*RR_[i][cellI];
             }
@@ -439,13 +439,13 @@ Foam::scalar Foam::dfChemistryModel<ThermoType>::torchSolve
         for (size_t i=0; i<(CanteraGas_->nSpecies()); i++)//
         {
             u_[i+2] = outputs[cellI][i+2].item().to<double>()*Ystd_[i+2]+Ymu_[i+2];
-            yTemp_[i] = pow((yBCT_[i] + u_[i+2]*deltaT)*lambda+1,1/lambda);
+            yTemp_[i] = pow((yBCT_[i] + u_[i+2]*deltaT[cellI])*lambda+1,1/lambda);
             Yt += yTemp_[i];
         }
         for (size_t i=0; i<CanteraGas_->nSpecies(); i++)
         {
             yTemp_[i] = yTemp_[i] / Yt;
-            RR_[i][torch_cell[cellI]] = (yTemp_[i] - Y_[i][torch_cell[cellI]])*rho_[torch_cell[cellI]]/deltaT;
+            RR_[i][torch_cell[cellI]] = (yTemp_[i] - Y_[i][torch_cell[cellI]])*rho_[torch_cell[cellI]]/deltaT[cellI];
             const scalar hc = CanteraGas_->Hf298SS(i)/CanteraGas_->molecularWeight(i); // J/kg
             Qdot_[torch_cell[cellI]] -= hc*RR_[i][torch_cell[cellI]];
         }

src/dfChemistryModel/dfChemistryModel.H

@@ -178,6 +178,8 @@ public:
 
         // update T, psi, mu, alpha, rhoD, hai (if needed)
         void correctThermo();
+
+        ThermoType& thermo() {return thermo_;}
 };
 
 

src/dfCombustionModels/CombustionModel/ChemistryCombustion/ChemistryCombustion.C

@@ -0,0 +1,75 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Copyright (C) 2012-2018 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 <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "ChemistryCombustion.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class ReactionThermo>
+Foam::ChemistryCombustion<ReactionThermo>::ChemistryCombustion
+(
+    const word& modelType,
+    ReactionThermo& thermo,
+    const compressibleTurbulenceModel& turb,
+    const word& combustionProperties
+)
+:
+    CombustionModel<ReactionThermo>
+    (
+        modelType,
+        thermo,
+        turb,
+        combustionProperties
+    )
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+template<class ReactionThermo>
+Foam::ChemistryCombustion<ReactionThermo>::
+~ChemistryCombustion()
+{}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+template<class ReactionThermo>
+ReactionThermo&
+Foam::ChemistryCombustion<ReactionThermo>::thermo()
+{
+    return this->chemistryPtr_->thermo();
+}
+
+
+template<class ReactionThermo>
+const ReactionThermo&
+Foam::ChemistryCombustion<ReactionThermo>::thermo() const
+{
+    return this->chemistryPtr_->thermo();
+}
+
+
+// ************************************************************************* //

src/dfCombustionModels/CombustionModel/ChemistryCombustion/ChemistryCombustion.H

@@ -0,0 +1,106 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Copyright (C) 2012-2018 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 <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::ChemistryCombustion
+
+Description
+    Chemistry model wrapper for combustion models
+
+SourceFiles
+    ChemistryCombustion.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef ChemistryCombustion_H
+#define ChemistryCombustion_H
+
+#include "dfChemistryModel.H"
+#include "autoPtr.H"
+#include "CombustionModel.H"
+//#include "BasicChemistryModel.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                    class ChemistryCombustion Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class ReactionThermo>
+class ChemistryCombustion
+:
+    public CombustionModel<ReactionThermo>
+{
+protected:
+
+    // Protected data
+
+
+public:
+
+    // Constructors
+
+        //- Construct from components and thermo
+        ChemistryCombustion
+        (
+            const word& modelType,
+            ReactionThermo& thermo,
+            const compressibleTurbulenceModel& turb,
+            const word& combustionProperties
+        );
+
+
+    //- Destructor
+    virtual ~ChemistryCombustion();
+
+
+    // Member Functions
+
+        //- Return access to the thermo package
+        virtual ReactionThermo& thermo();
+
+        //- Return const access to the thermo package
+        virtual const ReactionThermo& thermo() const;
+
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#ifdef NoRepository
+    #include "ChemistryCombustion.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //