ignore increase in oxygen/fuel mass fraction

.gitignore

@@ -82,3 +82,20 @@ doc/Doxygen/DTAGS
 
 # Ignore the test directory
 /tutorialsTest
+
+.*.swp
+*.gz
+log.*
+postProcessing
+*~
+processor*
+[0-9]*
+[0-9]*.[0-9]*
+!0.org
+constant/extendedFeatureEdgeMesh
+*.eMesh
+constant/polyMesh/*
+!constant/polyMesh/blockMeshDict
+constant/cellToRegion
+*.OpenFOAM
+*.foam

Allwmake

@@ -1,11 +0,0 @@
-#!/bin/sh
-cd ${0%/*} || exit 1    # Run from this directory
-
-targetType=libso
-. $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments
-
-libs/Allwmake $targetType $*
-
-solvers_post/Allwmake $targetType $*
-
-#------------------------------------------------------------------------------

examples/FlameD_LagrangianCMC/constant/thermophysicalProperties

@@ -21,7 +21,7 @@ thermoType
     mixture         reactingMixture;
     transport       sutherland;
     thermo          janaf;
-    energy          sensibleEnthalpy;
+    energy          absoluteEnthalpy;
     equationOfState perfectGas;
     specie          specie;
 }

examples/FlameD_LagrangianCMC/system/fvSchemes

@@ -33,7 +33,7 @@ divSchemes
     div(phi,U)      Gauss linearUpwindV cellLimited Gauss linear 1;
     div(phi,Yi_h)   Gauss multivariateSelection
     {
-	h linearUpwind cellLimited Gauss linear 1;
+	ha linearUpwind cellLimited Gauss linear 1;
 	H2 linearUpwind cellLimited Gauss linear 1;
 	H linearUpwind cellLimited Gauss linear 1;
 	O linearUpwind cellLimited Gauss linear 1;

examples/FlameD_LagrangianCMC/system/fvSolution

@@ -46,14 +46,14 @@ solvers
         relTol           0.0;
     }
 
-    "(U|Yi|h|k|epsilon|mf|mfVar|Fk)"
+    "(U|Yi|ha|k|epsilon|mf|mfVar|Fk)"
     {
         solver          PBiCG;
         preconditioner  DILU;
         tolerance       1e-08;
         relTol          0;
     }
-    "(U|Yi|h|k|epsilon|mf|mfVar|Fk)Final"
+    "(U|Yi|ha|k|epsilon|mf|mfVar|Fk)Final"
     {
         solver          PBiCG;
         preconditioner  DILU;

libs/Allwmake

@@ -1,10 +0,0 @@
-#!/bin/sh
-cd ${0%/*} || exit 1    # Run from this directory
-
-targetType=libso
-. $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments
-
-wmake $targetType chemistryModel_POSTECH
-wmake $targetType combustionModels_POSTECH
-
-#------------------------------------------------------------------------------

libs/thermos/Make/files

@@ -0,0 +1,3 @@
+thermoAdd.C
+
+LIB = $(FOAM_USER_LIBBIN)/libthermoAdd

libs/thermos/Make/options

@@ -0,0 +1,29 @@
+OFP_LIB_SRC = ../
+
+EXE_INC = \
+    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
+    -I$(OFP_LIB_SRC)//chemistryModel_POSTECH/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/functions/Polynomial \
+    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
+    -I$(LIB_SRC)/turbulenceModels/compressible/lnInclude \
+    -I$(LIB_SRC)/ODE/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/solidSpecie/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/lnInclude
+
+LIB_LIBS = \
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lreactionThermophysicalModels \
+    -lspecie \
+    -lthermophysicalFunctions \
+    -lODE \
+    -lfiniteVolume \
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lspecie \
+    -lsolidSpecie \
+    -lfiniteVolume \
+    -lOpenFOAM

libs/thermos/thermoAdd.C

@@ -0,0 +1,384 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2013 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/>.
+
+Typedefs
+    Foam::thermoPhysicsTypes
+
+Description
+    Type definitions for thermo-physics models
+
+\*---------------------------------------------------------------------------*/
+
+#include "specie.H"
+#include "perfectGas.H"
+#include "janafThermo.H"
+
+#include "absoluteEnthalpy.H"
+#include "absoluteInternalEnergy.H"
+#include "thermo.H"
+#include "sutherlandTransport.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    // thermo physics types based on absoluteEnthalpy
+
+    typedef
+    sutherlandTransport
+    <
+        species::thermo
+        <
+            janafThermo
+            <
+                perfectGas<specie>
+            >,
+            absoluteEnthalpy
+        >
+    > gasHaThermoPhysics;
+
+
+    // thermo physics types based on absoluteInternalEnergy
+
+    typedef
+    sutherlandTransport
+    <
+        species::thermo
+        <
+            janafThermo
+            <
+                perfectGas<specie>
+            >,
+            absoluteInternalEnergy
+        >
+    > gasEaThermoPhysics;
+
+} // End namespace Foam
+
+/*---------------------------------------------------------------------------*\
+Typedefs
+    Foam::reactionTypes
+
+Description
+    Type definitions for reactions
+\*---------------------------------------------------------------------------*/
+
+#include "Reaction.H"
+
+namespace Foam
+{
+    // absolute enthalpy based reactions
+    typedef Reaction<gasHaThermoPhysics> gasHaReaction;
+
+    // absolute internal ennergy based reactions
+    typedef Reaction<gasEaThermoPhysics> gasEaReaction;
+
+}
+
+// ************************************************************************* //
+
+#include "makeReactionThermo.H"
+
+#include "chemistryReader.H"
+#include "foamChemistryReader.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Gas chemistry readers based on absoluteEnthalpy
+
+makeChemistryReader(gasHaThermoPhysics);
+
+makeChemistryReaderType(foamChemistryReader, gasHaThermoPhysics);
+
+
+
+// Gas chemistry readers based on absoluteInternalEnergy
+
+makeChemistryReader(gasEaThermoPhysics);
+
+makeChemistryReaderType(foamChemistryReader, gasEaThermoPhysics);
+
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "makeReaction.H"
+
+#include "ArrheniusReactionRate.H"
+#include "infiniteReactionRate.H"
+#include "LandauTellerReactionRate.H"
+#include "thirdBodyArrheniusReactionRate.H"
+
+#include "ChemicallyActivatedReactionRate.H"
+#include "JanevReactionRate.H"
+#include "powerSeriesReactionRate.H"
+
+#include "FallOffReactionRate.H"
+#include "LindemannFallOffFunction.H"
+#include "SRIFallOffFunction.H"
+#include "TroeFallOffFunction.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#define makeReactions(Thermo, Reaction)                                        \
+                                                                               \
+    defineTemplateTypeNameAndDebug(Reaction, 0);                               \
+    defineTemplateRunTimeSelectionTable(Reaction, Istream);                    \
+    defineTemplateRunTimeSelectionTable(Reaction, dictionary);                 \
+                                                                               \
+    makeIRNReactions(Thermo, ArrheniusReactionRate)                            \
+    makeIRNReactions(Thermo, infiniteReactionRate)                             \
+    makeIRNReactions(Thermo, LandauTellerReactionRate)                         \
+    makeIRNReactions(Thermo, thirdBodyArrheniusReactionRate)                   \
+                                                                               \
+    makeIRReactions(Thermo, JanevReactionRate)                                 \
+    makeIRReactions(Thermo, powerSeriesReactionRate)                           \
+                                                                               \
+    makePressureDependentReactions                                             \
+    (                                                                          \
+       Thermo,                                                                 \
+       ArrheniusReactionRate,                                                  \
+       LindemannFallOffFunction                                                \
+    )                                                                          \
+                                                                               \
+    makePressureDependentReactions                                             \
+    (                                                                          \
+       Thermo,                                                                 \
+       ArrheniusReactionRate,                                                  \
+       TroeFallOffFunction                                                     \
+    )                                                                          \
+                                                                               \
+    makePressureDependentReactions                                             \
+    (                                                                          \
+       Thermo,                                                                 \
+       ArrheniusReactionRate,                                                  \
+       SRIFallOffFunction                                                      \
+    )
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    // absolute enthalpy based reactions
+    makeReactions(gasHaThermoPhysics, gasHaReaction)
+    makeReactions(gasEaThermoPhysics, gasEaReaction)
+}
+
+// ************************************************************************* //
+
+#include "makeReactionThermo.H"
+
+#include "psiReactionThermo.H"
+#include "hePsiThermo.H"
+
+#include "specie.H"
+#include "perfectGas.H"
+#include "janafThermo.H"
+#include "absoluteEnthalpy.H"
+#include "thermo.H"
+#include "sutherlandTransport.H"
+
+#include "homogeneousMixture.H"
+#include "inhomogeneousMixture.H"
+#include "veryInhomogeneousMixture.H"
+#include "multiComponentMixture.H"
+#include "reactingMixture.H"
+#include "singleStepReactingMixture.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// sutherlandTransport, janafThermo
+
+makeReactionThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    homogeneousMixture,
+    sutherlandTransport,
+    absoluteEnthalpy,
+    janafThermo,
+    perfectGas,
+    specie
+);
+
+makeReactionThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    inhomogeneousMixture,
+    sutherlandTransport,
+    absoluteEnthalpy,
+    janafThermo,
+    perfectGas,
+    specie
+);
+
+makeReactionThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    veryInhomogeneousMixture,
+    sutherlandTransport,
+    absoluteEnthalpy,
+    janafThermo,
+    perfectGas,
+    specie
+);
+
+
+// Multi-component thermo for absolute enthalpy
+
+makeReactionMixtureThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    multiComponentMixture,
+    gasHaThermoPhysics
+);
+
+
+// Multi-component thermo for internal energy
+
+makeReactionMixtureThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    multiComponentMixture,
+    gasEaThermoPhysics
+);
+
+
+// Multi-component reaction thermo for absolute enthalpy
+
+makeReactionMixtureThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    reactingMixture,
+    gasHaThermoPhysics
+);
+
+makeReactionMixtureThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    singleStepReactingMixture,
+    gasHaThermoPhysics
+);
+
+
+// Multi-component reaction thermo for internal energy
+
+makeReactionMixtureThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    reactingMixture,
+    gasEaThermoPhysics
+);
+
+makeReactionMixtureThermo
+(
+    psiThermo,
+    psiReactionThermo,
+    hePsiThermo,
+    singleStepReactingMixture,
+    gasEaThermoPhysics
+);
+
+} // End namespace Foam
+
+/*---------------------------------------------------------------------------*\
+InClass
+    Foam::psiChemistryModel
+
+Description
+    Creates chemistry model instances templated on the type of thermodynamics
+\*---------------------------------------------------------------------------*/
+
+#include "makeChemistryModel.H"
+
+#include "psiChemistryModel.H"
+#include "chemistryModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    // Chemistry moldels based on absoluteEnthalpy
+    makeChemistryModel
+    (
+        chemistryModel,
+        psiChemistryModel,
+        gasHaThermoPhysics
+    );
+
+    // Chemistry moldels based on absoluteInternalEnergy
+    makeChemistryModel
+    (
+        chemistryModel,
+        psiChemistryModel,
+        gasEaThermoPhysics
+    );
+}
+
+// ************************************************************************* //
+
+#include "makeChemistrySolverTypes.H"
+
+#include "psiChemistryModel.H"
+#include "rhoChemistryModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    // Chemistry solvers based on absoluteEnthalpy
+    makeChemistrySolverTypes(psiChemistryModel, gasHaThermoPhysics);
+    // makeChemistrySolverTypes(rhoChemistryModel, gasHaThermoPhysics);
+
+    // Chemistry solvers based on absoluteInternalEnergy
+    makeChemistrySolverTypes(psiChemistryModel, gasEaThermoPhysics);
+    // makeChemistrySolverTypes(rhoChemistryModel, gasEaThermoPhysics);
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+

solvers_post/Allwmake

@@ -1,12 +0,0 @@
-#!/bin/sh
-cd ${0%/*} || exit 1    # Run from this directory
-
-targetType=libso
-. $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments
-
-wmake SLFMFoam
-wmake LagrangianCMCFoam
-wmake LagrangianCMCSprayFoam
-wmake LagrangianCMCdieselEngineFoam4x
-
-#------------------------------------------------------------------------------

solvers_post/LagrangianCMCFoam/CMCintegration.H

@@ -5,11 +5,11 @@
             {
                 scalarField Ytemp(Ysize, 0.0);
 
-                        for(label i=0 ; i < Ysize ; i++) //reaction rate integration over an eta-space for species i
+                for(label i = 0 ; i < Ysize ; i++) //mass fraction integration over an eta-space for species i
                 {
                     for(label k=0 ; k<=group ; k++)
                     {
-					for(label j=0 ; j<= etamax ; j++)
+                        for(label j=0 ; j<=etamax ; j++)
                         {
                             pdf[j] = Peta[j][celli];
                             f[j] = QiCMC[(k*(etamax+1)+j)*Ysize + i];
@@ -18,33 +18,20 @@
                     }
                 }
 
-                        if( Ytemp[o2index] > Y[o2index][celli] || Ytemp[fuelindex] > Y[fuelindex][celli])
+                Switch ignoreOFIncrease = true;
+                Switch oxygenIncrease =  Ytemp[o2index] > Y[o2index][celli];
+                Switch fuelIncrease = Ytemp[fuelindex] > Y[fuelindex][celli];
+                if( ignoreOFIncrease && (oxygenIncrease || fuelIncrease))
                 {
-                                SUMSh[celli] = 0;
+                    // Do not update Yi
-                                //keep Yi value
                 }
                 else
                 {
-                                scalarField ReactionRate(Ysize, 0.0);
+                    for(label i = 0 ; i < Ysize ; i++)
-                                scalar tShtemp(0);
-
-                                for(label i = 0 ; i<Ysize ; i++)
-                                {
-                                        ReactionRate[i] = rho[celli] * (Ytemp[i] - Y[i][celli]) / runTime.deltaT().value();
-                                        tShtemp -= chemistry->calculateShCMC( ReactionRate , i);
-                                }
-                                SUMSh[celli] = tShtemp;
-
-                                for(label i = 0 ; i <Ysize ; i++)
                     {
                         Y[i][celli] = Ytemp[i];
                     }
-
                 }
             }
-                else
-                {
-                        SUMSh[celli] = 0;
-                }
         }
 

solvers_post/LagrangianCMCFoam/EEqn.H

@@ -6,7 +6,7 @@
         fvm::ddt(rho, he) + mvConvection->fvmDiv(phi, he)
       + fvc::ddt(rho, K) + fvc::div(phi, K)
       + (
-            he.name() == "e"
+            he.name() == "ea"
           ? fvc::div
             (
                 fvc::absolute(phi/fvc::interpolate(rho), U),
@@ -17,8 +17,7 @@
         )
       - fvm::laplacian(1.47*turbulence->mut(), he)
      ==
-        SUMSh
+        fvOptions(rho, he)
-       +fvOptions(rho, he)
     );
 
     EEqn.relax();

solvers_post/LagrangianCMCFoam/LagrangianCMCFoam.C

@@ -96,7 +96,6 @@ int main(int argc, char *argv[])
                 init_start_CMC = false;
         }
         #include "CMCequation.H" //Solve CMC equations
-        #include "YEqn.H"
         #include "CMCintegration.H" //Conditional field integration and get reaction rate
         #include "EEqn.H"
 

solvers_post/LagrangianCMCFoam/Make/options

@@ -18,6 +18,7 @@ EXE_LIBS = \
     -L$(FOAM_USER_LIBBIN) \
         -lchemistryModel_POSTECH \
         -lcombustionModels_POSTECH \
+        -lthermoAdd \
     -lfiniteVolume \
     -lfvOptions \
     -lmeshTools \

solvers_post/LagrangianCMCFoam/createFields.H

@@ -10,7 +10,7 @@ autoPtr<combustionModels::psiChemistryCombustion> reaction
 autoPtr<psiChemistryModel> chemistry = reaction->chem();
 psiReactionThermo& thermo = chemistry->thermo();
 
-thermo.validate(args.executable(), "h", "e");
+thermo.validate(args.executable(), "ha");
 
 basicMultiComponentMixture& composition = thermo.composition();
 PtrList<volScalarField>& Y = composition.Y();