Update .gitlab-ci.yml

.gitignore

@@ -7,8 +7,6 @@
 *.bak
 *.bak[0-9][0-9]
 \#*\#
-.*.swp
-.*.swo
 
 # File-browser settings - anywhere
 .directory

.gitlab-ci.yml

@@ -1,9 +1,23 @@
-before_script:
-  - "[[ -d ../ThirdParty-4.x ]] || git clone https://github.com/OpenFOAM/ThirdParty-4.x.git ../ThirdParty-4.x"
-  - source etc/bashrc
-  - rm -rf platforms
-  - wclean all
-
 allmake:
+  image: park0d/of4builder
+  tags:
+    - openfoam4
+  before_script:
+    - "[[ -d ../ThirdParty-4.x ]] || git clone https://github.com/OpenFOAM/ThirdParty-4.x.git ../ThirdParty-4.x"
+    - source etc/bashrc
+    - rm -rf platforms
+    - wclean all
   script:
     - ./Allwmake -j
+  artifacts:
+    paths:
+      - ./
+
+cantera:
+    image: park0d/of4builder
+    tags:
+        - openfoam4
+    script:
+        - whereis libcantera
+    
+  

applications/solvers/lagrangian/ThermoMPPICFoam/EEqn.H

@@ -1,40 +0,0 @@
-{
-    volScalarField& he = thermo.he();
-
-    fvScalarMatrix EEqn
-    (
-        fvm::ddt(alphac,rho, he) + mvConvection->fvmDiv(alphacPhi, he)
-      + fvc::ddt(alphac,rho, K) + fvc::div(alphacPhi, K)
-      + (
-            he.name() == "e"
-          ? fvc::div
-            (
-                fvc::absolute(phi/fvc::interpolate(rho), U),
-                p,
-                "div(phiv,p)"
-            )
-          : -dpdt
-        )
-      - fvm::laplacian(alphac*turbulence->alphaEff(), he)
-     ==
-        alphac*rho*(U&g)
-      + parcels.Sh(he)
-      + radiation->Sh(thermo)
-      + combustion->Sh()
-      + fvOptions(alphac,rho, he)
-    );
-
-    EEqn.relax();
-
-    fvOptions.constrain(EEqn);
-
-    EEqn.solve();
-
-    fvOptions.correct(he);
-
-    thermo.correct();
-    radiation->correct();
-
-    Info<< "T gas min/max   = " << min(T).value() << ", "
-        << max(T).value() << endl;
-}

applications/solvers/lagrangian/ThermoMPPICFoam/Make/files

@@ -1,3 +0,0 @@
-ThermoMPPICFoam.C
-
-EXE = $(FOAM_APPBIN)/ThermoMPPICFoam

applications/solvers/lagrangian/ThermoMPPICFoam/Make/options

@@ -1,56 +0,0 @@
-EXE_INC = \
-    -I. \
-    -I$(LIB_SRC)/finiteVolume/lnInclude \
-    -I${LIB_SRC}/meshTools/lnInclude \
-    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
-    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
-    -I$(LIB_SRC)/lagrangian/basic/lnInclude \
-    -I$(LIB_SRC)/lagrangian/intermediate/lnInclude \
-    -I$(LIB_SRC)/lagrangian/coalCombustion/lnInclude \
-    -I$(LIB_SRC)/lagrangian/distributionModels/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
-    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \
-    -I$(LIB_SRC)/ODE/lnInclude \
-    -I$(LIB_SRC)/regionModels/regionModel/lnInclude \
-    -I$(LIB_SRC)/regionModels/surfaceFilmModels/lnInclude \
-    -I$(LIB_SRC)/combustionModels/lnInclude \
-    -I$(LIB_SRC)/sampling/lnInclude \
-    -I$(FOAM_SOLVERS)/combustion/reactingFoam
-
-
-EXE_LIBS = \
-    -lfiniteVolume \
-    -lmeshTools \
-    -lturbulenceModels \
-    -lcompressibleTurbulenceModels \
-    -llagrangian \
-    -llagrangianIntermediate \
-    -llagrangianTurbulence \
-    -lspecie \
-    -lcompressibleTransportModels \
-    -lfluidThermophysicalModels \
-    -lliquidProperties \
-    -lliquidMixtureProperties \
-    -lsolidProperties \
-    -lsolidMixtureProperties \
-    -lthermophysicalFunctions \
-    -lreactionThermophysicalModels \
-    -lSLGThermo \
-    -lchemistryModel \
-    -lradiationModels \
-    -lODE \
-    -lregionModels \
-    -lsurfaceFilmModels \
-    -lcombustionModels \
-    -lfvOptions \
-    -lsampling

applications/solvers/lagrangian/ThermoMPPICFoam/ThermoMPPICFoam.C

@@ -1,147 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2016 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/>.
-
-Application
-    ThermoMPPICFoam
-
-Description
-    Transient solver for compressible, turbulent flow with a reacting,
-    multiphase particle cloud, and optional sources/constraints.
-
-\*---------------------------------------------------------------------------*/
-
-#include "fvCFD.H"
-#include "turbulentFluidThermoModel.H"
-#include "basicThermoKinematicMPPICCloud.H"
-#include "rhoCombustionModel.H"
-#include "radiationModel.H"
-#include "fvOptions.H"
-#include "SLGThermo.H"
-#include "pimpleControl.H"
-#include "localEulerDdtScheme.H"
-#include "fvcSmooth.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-int main(int argc, char *argv[])
-{
-    #include "postProcess.H"
-
-    #include "setRootCase.H"
-    #include "createTime.H"
-    #include "createMesh.H"
-    #include "createControl.H"
-    #include "createTimeControls.H"
-    #include "createRDeltaT.H"
-    #include "createFields.H"
-    #include "createFieldRefs.H"
-    #include "createFvOptions.H"
-    #include "initContinuityErrs.H"
-
-    turbulence->validate();
-
-    #include "compressibleCourantNo.H"
-    #include "setInitialDeltaT.H"
-
-    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-    Info<< "\nStarting time loop\n" << endl;
-
-    while (runTime.run())
-    {
-        #include "readTimeControls.H"
-        #include "compressibleCourantNo.H"
-        #include "setDeltaT.H"
-
-        runTime++;
-
-        Info<< "Time = " << runTime.timeName() << nl << endl;
-
-        parcels.evolve();
-
-        // Update continuous phase volume fraction field
-        alphac = max(1.0 - parcels.theta(), alphacMin);
-        alphac.correctBoundaryConditions();
-        alphacf = fvc::interpolate(alphac);
-        alphacPhi = alphacf*phi;
-
-        fvVectorMatrix cloudSU(parcels.SU(U));
-        volVectorField cloudVolSUSu
-        (
-            IOobject
-            (
-                "cloudVolSUSu",
-                runTime.timeName(),
-                mesh
-            ),
-            mesh,
-            dimensionedVector
-            (
-                "0",
-                cloudSU.dimensions()/dimVolume,
-                vector::zero
-            ),
-            zeroGradientFvPatchVectorField::typeName
-        );
-
-        cloudVolSUSu.primitiveFieldRef() = -cloudSU.source()/mesh.V();
-        cloudVolSUSu.correctBoundaryConditions();
-        cloudSU.source() = vector::zero;
-
-        #include "rhoEqn.H"
-
-        // --- Pressure-velocity PIMPLE corrector loop
-        while (pimple.loop())
-        {
-            #include "UEqn.H"
-            #include "YEqn.H"
-            #include "EEqn.H"
-
-            // --- Pressure corrector loop
-            while (pimple.correct())
-            {
-                #include "pEqn.H"
-            }
-
-            if (pimple.turbCorr())
-            {
-                turbulence->correct();
-            }
-        }
-
-        rho = thermo.rho();
-
-        runTime.write();
-
-        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
-            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
-            << nl << endl;
-    }
-
-    Info<< "End\n" << endl;
-
-    return 0;
-}
-
-
-// ************************************************************************* //

applications/solvers/lagrangian/ThermoMPPICFoam/UEqn.H

@@ -1,43 +0,0 @@
-    fvVectorMatrix UEqn
-    (
-        fvm::ddt(alphac, rho, U)
-      + fvm::div(alphacPhi, U)
-      - fvm::laplacian(alphac*turbulence->muEff(),U)
-      - fvc::div(alphac*turbulence->muEff()*dev2(fvc::grad(U)().T()))
-      - fvm::Sp(fvc::ddt(alphac,rho) + fvc::div(alphacPhi), U)
-     ==
-      cloudSU
-      + fvOptions(alphac,rho, U)
-    );
-
-    UEqn.relax();
-
-    volScalarField rAU(1.0/UEqn.A());
-    surfaceScalarField rAUf("rAUf", fvc::interpolate(rAU));
-
-    surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rho*rAU));
-
-    surfaceScalarField phicForces
-    (
-        (fvc::interpolate(rAU*cloudVolSUSu) & mesh.Sf())
-        + alphacf*rhorAUf*(g & mesh.Sf())
-    );
-
-    fvOptions.constrain(UEqn);
-
-    if (pimple.momentumPredictor())
-    {
-        solve
-        (
-            UEqn
-         ==
-            fvc::reconstruct
-            (
-                phicForces/rAUf
-            )
-          - fvc::grad(p)
-        );
-
-        fvOptions.correct(U);
-        K = 0.5*magSqr(U);
-    }

applications/solvers/lagrangian/ThermoMPPICFoam/YEqn.H

@@ -1,53 +0,0 @@
-tmp<fv::convectionScheme<scalar>> mvConvection
-(
-    fv::convectionScheme<scalar>::New
-    (
-        mesh,
-        fields,
-        phi,
-        mesh.divScheme("div(phi,Yi_h)")
-    )
-);
-
-{
-    combustion->correct();
-    dQ = combustion->dQ();
-    label inertIndex = -1;
-    volScalarField Yt(0.0*Y[0]);
-
-    forAll(Y, i)
-    {
-        if (Y[i].name() != inertSpecie)
-        {
-            volScalarField& Yi = Y[i];
-
-            fvScalarMatrix YEqn
-            (
-                fvm::ddt(alphac,rho, Yi)
-              + mvConvection->fvmDiv(alphacPhi, Yi)
-              - fvm::laplacian(alphac*turbulence->muEff(), Yi)
-             ==
-                combustion->R(Yi)
-              + fvOptions(alphac,rho, Yi)
-            );
-
-            YEqn.relax();
-
-            fvOptions.constrain(YEqn);
-
-            YEqn.solve(mesh.solver("Yi"));
-
-            fvOptions.correct(Yi);
-
-            Yi.max(0.0);
-            Yt += Yi;
-        }
-        else
-        {
-            inertIndex = i;
-        }
-    }
-
-    Y[inertIndex] = scalar(1) - Yt;
-    Y[inertIndex].max(0.0);
-}

applications/solvers/lagrangian/ThermoMPPICFoam/createClouds.H

@@ -1,26 +0,0 @@
-Info<< "\nConstructing reacting cloud" << endl;
-basicThermoKinematicMPPICCloud parcels
-(
-    "reactingCloud",
-    rho,
-    U,
-    slgThermo.thermo().mu(),
-    g
-);
-
-
-// Continuouse phase volume fraction lower limit
-scalar alphacMin
-(
-    1.0
-    - readScalar
-    (
-        parcels.particleProperties().subDict("constantProperties").lookup("alphaMax")
-    )
-);
-
-// Update alphac from the particle locations
-alphac = max(1.0 - parcels.theta(), alphacMin);
-alphac.correctBoundaryConditions();
-alphacf = fvc::interpolate(alphac);
-alphacPhi = alphacf*phi;

applications/solvers/lagrangian/ThermoMPPICFoam/createFieldRefs.H

@@ -1,2 +0,0 @@
-const volScalarField& T = thermo.T();
-const volScalarField& psi = thermo.psi();

applications/solvers/lagrangian/ThermoMPPICFoam/createFields.H

@@ -1,158 +0,0 @@
-#include "readGravitationalAcceleration.H"
-
-Info<< "Creating combustion model\n" << endl;
-
-autoPtr<combustionModels::rhoCombustionModel> combustion
-(
-    combustionModels::rhoCombustionModel::New(mesh)
-);
-
-rhoReactionThermo& thermo = combustion->thermo();
-thermo.validate(args.executable(), "h", "e");
-
-SLGThermo slgThermo(mesh, thermo);
-
-basicSpecieMixture& composition = thermo.composition();
-PtrList<volScalarField>& Y = composition.Y();
-
-const word inertSpecie(thermo.lookup("inertSpecie"));
-
-if (!composition.contains(inertSpecie))
-{
-    FatalErrorInFunction
-        << "Specified inert specie '" << inertSpecie << "' not found in "
-        << "species list. Available species:" << composition.species()
-        << exit(FatalError);
-}
-
-volScalarField& p = thermo.p();
-
-volScalarField rho
-(
-    IOobject
-    (
-        "rho",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    thermo.rho()
-);
-
-Info<< "\nReading field U\n" << endl;
-volVectorField U
-(
-    IOobject
-    (
-        "U",
-        runTime.timeName(),
-        mesh,
-        IOobject::MUST_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh
-);
-
-#include "compressibleCreatePhi.H"
-
-mesh.setFluxRequired(p.name());
-
-dimensionedScalar rhoMax
-(
-    dimensionedScalar::lookupOrDefault
-    (
-        "rhoMax",
-        pimple.dict(),
-        dimDensity,
-        GREAT
-    )
-);
-
-dimensionedScalar rhoMin
-(
-    dimensionedScalar::lookupOrDefault
-    (
-        "rhoMin",
-        pimple.dict(),
-        dimDensity,
-        0
-    )
-);
-
-Info<< "Creating turbulence model\n" << endl;
-autoPtr<compressible::turbulenceModel> turbulence
-(
-    compressible::turbulenceModel::New
-    (
-        rho,
-        U,
-        phi,
-        thermo
-    )
-);
-
-// Set the turbulence into the combustion model
-combustion->setTurbulence(turbulence());
-
-Info<< "Creating field dpdt\n" << endl;
-volScalarField dpdt
-(
-    IOobject
-    (
-        "dpdt",
-        runTime.timeName(),
-        mesh
-    ),
-    mesh,
-    dimensionedScalar("dpdt", p.dimensions()/dimTime, 0)
-);
-
-Info<< "Creating field kinetic energy K\n" << endl;
-volScalarField K("K", 0.5*magSqr(U));
-
-Info<< "Creating multi-variate interpolation scheme\n" << endl;
-multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
-
-forAll(Y, i)
-{
-    fields.add(Y[i]);
-}
-fields.add(thermo.he());
-
-volScalarField dQ
-(
-    IOobject
-    (
-        "dQ",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh,
-    dimensionedScalar("dQ", dimEnergy/dimTime, 0.0)
-);
-
-volScalarField alphac
-(
-    IOobject
-    (
-        "alphac",
-        runTime.timeName(),
-        mesh,
-        IOobject::READ_IF_PRESENT,
-        IOobject::AUTO_WRITE
-    ),
-        mesh,
-        dimensionedScalar("0", dimless, 1)
-);
-
-surfaceScalarField alphacf("alphacf", fvc::interpolate(alphac));
-surfaceScalarField alphacPhi("alphacPhi", alphacf*phi);
-
-volScalarField alphacrho("alphacrho", alphac*rho);
-
-#include "createMRF.H"
-#include "createRadiationModel.H"
-#include "createClouds.H"

applications/solvers/lagrangian/ThermoMPPICFoam/pEqn.H

@@ -1,81 +0,0 @@
-{
-    rho = thermo.rho();
-
-    // Thermodynamic density needs to be updated by psi*d(p) after the
-    // pressure solution - done in 2 parts. Part 1:
-    thermo.rho() -= psi*p;
-
-    rhorAUf= fvc::interpolate(rho*rAU);
-    surfaceScalarField rhof("rhof", fvc::interpolate(rho));
-
-    volVectorField HbyA("HbyA", U);
-    HbyA = rAU*UEqn.H();
-
-    surfaceScalarField phiHbyA
-    (
-        "phiHbyA",
-        (
-         (fvc::interpolate(rho*HbyA) & mesh.Sf())
-         + rhorAUf*fvc::ddtCorr(rho, U, phi)
-         + phicForces*rhof
-
-        )
-    );
-
-       MRF.makeRelative(fvc::interpolate(rho), phiHbyA);
-
-    // Update the pressure BCs to ensure flux consistency
-    constrainPressure(p, rho, U, phiHbyA, rhorAUf, MRF);
-
-    fvScalarMatrix pDDtEqn
-    (
-        fvc::ddt(alphac,rho) + alphac*psi*correction(fvm::ddt(p))
-      + fvc::div(alphacf*phiHbyA)
-     ==
-        fvOptions(alphac*psi, p, rho.name())
-    );
-
-    while (pimple.correctNonOrthogonal())
-    {
-        fvScalarMatrix pEqn
-        (
-            pDDtEqn
-          - fvm::laplacian(alphacf*rhorAUf, p)
-        );
-
-        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
-
-        if (pimple.finalNonOrthogonalIter())
-        {
-
-           phi = phiHbyA + pEqn.flux()/alphacf;
-
-           alphacPhi = alphacf*phi;
-
-           p.relax();
-
-           thermo.rho() += psi*p;
-
-           #include "rhoEqn.H"
-           #include "compressibleContinuityErrs.H"
-
-           U = HbyA + rAU*fvc::reconstruct(phicForces/rAUf) - rAU*fvc::grad(p);
-
-         }
-    }
-
-    U.correctBoundaryConditions();
-    fvOptions.correct(U);
-    K = 0.5*magSqr(U);
-
-    if (thermo.dpdt())
-    {
-        dpdt = fvc::ddt(p);
-    }
-
-    rho = thermo.rho();
-    rho = max(rho, rhoMin);
-    rho = min(rho, rhoMax);
-
-    Info<< "p min/max = " << min(p).value() << ", " << max(p).value() << endl;
-}

applications/solvers/lagrangian/ThermoMPPICFoam/rhoEqn.H

@@ -1,52 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2015 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/>.
-
-Global
-    rhoEqn
-
-Description
-    Solve the continuity for density.
-
-\*---------------------------------------------------------------------------*/
-
-{
-    fvScalarMatrix rhoEqn
-    (
-        fvm::ddt(alphac,rho)
-      + fvc::div(alphacPhi)
-      ==
-       fvOptions(alphac,rho)
-    );
-
-    rhoEqn.solve();
-
-    fvOptions.correct(rho);
-
-    Info<< "rho min/max = " << min(rho).value() << ", " << max(rho).value()
-        << endl;
-
-    rho = max(rho, rhoMin);
-    rho = min(rho, rhoMax);
-}
-
-// ************************************************************************* //

applications/solvers/lagrangian/ThermoMPPICFoam/setRDeltaT.H

@@ -1,134 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2016 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/>.
-
-\*---------------------------------------------------------------------------*/
-
-{
-    volScalarField& rDeltaT = trDeltaT.ref();
-
-    const dictionary& pimpleDict = pimple.dict();
-
-    // Maximum flow Courant number
-    scalar maxCo(readScalar(pimpleDict.lookup("maxCo")));
-
-    // Maximum time scale
-    scalar maxDeltaT(pimpleDict.lookupOrDefault<scalar>("maxDeltaT", GREAT));
-
-    // Smoothing parameter (0-1) when smoothing iterations > 0
-    scalar rDeltaTSmoothingCoeff
-    (
-        pimpleDict.lookupOrDefault<scalar>("rDeltaTSmoothingCoeff", 0.1)
-    );
-
-    // Damping coefficient (1-0)
-    scalar rDeltaTDampingCoeff
-    (
-        pimpleDict.lookupOrDefault<scalar>("rDeltaTDampingCoeff", 0.2)
-    );
-
-    // Maximum change in cell temperature per iteration
-    // (relative to previous value)
-    scalar alphaTemp(pimpleDict.lookupOrDefault("alphaTemp", 0.05));
-
-
-    Info<< "Time scales min/max:" << endl;
-
-    // Cache old reciprocal time scale field
-    volScalarField rDeltaT0("rDeltaT0", rDeltaT);
-
-    // Flow time scale
-    {
-        rDeltaT.ref() =
-        (
-            fvc::surfaceSum(mag(phi))()()
-           /((2*maxCo)*mesh.V()*rho())
-        );
-
-        // Limit the largest time scale
-        rDeltaT.max(1/maxDeltaT);
-
-        Info<< "    Flow        = "
-            << gMin(1/rDeltaT.primitiveField()) << ", "
-            << gMax(1/rDeltaT.primitiveField()) << endl;
-    }
-
-    // Reaction source time scale
-    {
-        volScalarField::Internal rDeltaTT
-        (
-            mag
-            (
-               parcels.hsTrans()/(mesh.V()*runTime.deltaT())
-             + combustion->Sh()()
-            )
-           /(
-               alphaTemp
-              *rho()
-              *thermo.Cp()()()
-              *T()
-           )
-        );
-
-        Info<< "    Temperature = "
-            << gMin(1/(rDeltaTT.field() + VSMALL)) << ", "
-            << gMax(1/(rDeltaTT.field() + VSMALL)) << endl;
-
-        rDeltaT.ref() = max
-        (
-            rDeltaT(),
-            rDeltaTT
-        );
-    }
-
-    // Update tho boundary values of the reciprocal time-step
-    rDeltaT.correctBoundaryConditions();
-
-    // Spatially smooth the time scale field
-    if (rDeltaTSmoothingCoeff < 1.0)
-    {
-        fvc::smooth(rDeltaT, rDeltaTSmoothingCoeff);
-    }
-
-    // Limit rate of change of time scale
-    // - reduce as much as required
-    // - only increase at a fraction of old time scale
-    if
-    (
-        rDeltaTDampingCoeff < 1.0
-     && runTime.timeIndex() > runTime.startTimeIndex() + 1
-    )
-    {
-        rDeltaT = max
-        (
-            rDeltaT,
-            (scalar(1.0) - rDeltaTDampingCoeff)*rDeltaT0
-        );
-    }
-
-    Info<< "    Overall     = "
-        << gMin(1/rDeltaT.primitiveField())
-        << ", " << gMax(1/rDeltaT.primitiveField()) << endl;
-}
-
-
-// ************************************************************************* //

applications/solvers/lagrangian/simpleCoalcombustionFoam/EEqn.H

@@ -1,32 +0,0 @@
-{
-    volScalarField& he = thermo.he();
-
-    fvScalarMatrix EEqn
-    (
-        mvConvection->fvmDiv(phi, he)
-      + (
-            he.name() == "e"
-          ? fvc::div(phi, volScalarField("Ekp", 0.5*magSqr(U) + p/rho))
-          : fvc::div(phi, volScalarField("K", 0.5*magSqr(U)))
-        )
-      - fvm::laplacian(turbulence->alphaEff(), he)
-     ==
-        parcels.Sh(he)
-      + radiation->Sh(thermo)
-      + combustion->Sh()
-      + fvOptions(rho, he)
-    );
-
-    EEqn.relax();
-
-    fvOptions.constrain(EEqn);
-
-    EEqn.solve();
-
-    fvOptions.correct(he);
-    thermo.correct();
-    radiation->correct();
-
-    Info<< "T gas min/max   = " << min(T).value() << ", "
-        << max(T).value() << endl;
-}

applications/solvers/lagrangian/simpleCoalcombustionFoam/Make/files

@@ -1,3 +0,0 @@
-simpleCoalcombustionFoam.C
-
-EXE = $(FOAM_APPBIN)/simpleCoalcombustionFoam

applications/solvers/lagrangian/simpleCoalcombustionFoam/Make/options

@@ -1,57 +0,0 @@
-EXE_INC = \
-    -I. \
-    -I$(LIB_SRC)/finiteVolume/lnInclude \
-    -I${LIB_SRC}/meshTools/lnInclude \
-    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
-    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
-    -I$(LIB_SRC)/lagrangian/basic/lnInclude \
-    -I$(LIB_SRC)/lagrangian/intermediate/lnInclude \
-    -I$(LIB_SRC)/lagrangian/coalCombustion/lnInclude \
-    -I$(LIB_SRC)/lagrangian/distributionModels/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
-    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \
-    -I$(LIB_SRC)/ODE/lnInclude \
-    -I$(LIB_SRC)/regionModels/regionModel/lnInclude \
-    -I$(LIB_SRC)/regionModels/surfaceFilmModels/lnInclude \
-    -I$(LIB_SRC)/combustionModels/lnInclude \
-    -I$(LIB_SRC)/sampling/lnInclude \
-    -I$(FOAM_SOLVERS)/combustion/reactingFoam
-
-
-EXE_LIBS = \
-    -lfiniteVolume \
-    -lmeshTools \
-    -lturbulenceModels \
-    -lcompressibleTurbulenceModels \
-    -llagrangian \
-    -llagrangianIntermediate \
-    -lcoalCombustion \
-    -llagrangianTurbulence \
-    -lspecie \
-    -lcompressibleTransportModels \
-    -lfluidThermophysicalModels \
-    -lliquidProperties \
-    -lliquidMixtureProperties \
-    -lsolidProperties \
-    -lsolidMixtureProperties \
-    -lthermophysicalFunctions \
-    -lreactionThermophysicalModels \
-    -lSLGThermo \
-    -lchemistryModel \
-    -lradiationModels \
-    -lODE \
-    -lregionModels \
-    -lsurfaceFilmModels \
-    -lcombustionModels \
-    -lfvOptions \
-    -lsampling

applications/solvers/lagrangian/simpleCoalcombustionFoam/UEqn.H

@@ -1,21 +0,0 @@
-    MRF.correctBoundaryVelocity(U);
-
-    tmp<fvVectorMatrix> tUEqn
-    (
-        fvm::div(phi, U)
-      + MRF.DDt(rho, U)
-      + turbulence->divDevRhoReff(U)
-     ==
-        rho()*g
-      + parcels.SU(U)
-      + fvOptions(rho, U)
-    );
-    fvVectorMatrix& UEqn = tUEqn.ref();
-
-    UEqn.relax();
-
-    fvOptions.constrain(UEqn);
-
-    solve(UEqn == -fvc::grad(p));
-
-    fvOptions.correct(U);

applications/solvers/lagrangian/simpleCoalcombustionFoam/YEqn.H

@@ -1,53 +0,0 @@
-tmp<fv::convectionScheme<scalar>> mvConvection
-(
-    fv::convectionScheme<scalar>::New
-    (
-        mesh,
-        fields,
-        phi,
-        mesh.divScheme("div(phi,Yi_h)")
-    )
-);
-
-{
-    combustion->correct();
-    dQ = combustion->dQ();
-    label inertIndex = -1;
-    volScalarField Yt(0.0*Y[0]);
-
-    forAll(Y, i)
-    {
-        if (Y[i].name() != inertSpecie)
-        {
-            volScalarField& Yi = Y[i];
-
-            fvScalarMatrix YEqn
-            (
-                mvConvection->fvmDiv(phi, Yi)
-              - fvm::laplacian(turbulence->muEff(), Yi)
-             ==
-                parcels.Srho(i)
-              + combustion->R(Yi)
-              + fvOptions(rho, Yi)
-            );
-
-            YEqn.relax();
-
-            fvOptions.constrain(YEqn);
-
-            YEqn.solve(mesh.solver("Yi"));
-
-            fvOptions.correct(Yi);
-
-            Yi.max(0.0);
-            Yt += Yi;
-        }
-        else
-        {
-            inertIndex = i;
-        }
-    }
-
-    Y[inertIndex] = scalar(1) - Yt;
-    Y[inertIndex].max(0.0);
-}

applications/solvers/lagrangian/simpleCoalcombustionFoam/createClouds.H

@@ -1,8 +0,0 @@
-Info<< "\nConstructing reacting cloud" << endl;
-coalCloudList parcels
-(
-    rho,
-    U,
-    g,
-    slgThermo
-);

applications/solvers/lagrangian/simpleCoalcombustionFoam/createFieldRefs.H

@@ -1,2 +0,0 @@
-const volScalarField& T = thermo.T();
-const volScalarField& psi = thermo.psi();

applications/solvers/lagrangian/simpleCoalcombustionFoam/createFields.H

@@ -1,123 +0,0 @@
-#include "readGravitationalAcceleration.H"
-
-Info<< "Creating combustion model\n" << endl;
-
-autoPtr<combustionModels::rhoCombustionModel> combustion
-(
-    combustionModels::rhoCombustionModel::New(mesh)
-);
-
-rhoReactionThermo& thermo = combustion->thermo();
-thermo.validate(args.executable(), "h", "e");
-
-SLGThermo slgThermo(mesh, thermo);
-
-basicSpecieMixture& composition = thermo.composition();
-PtrList<volScalarField>& Y = composition.Y();
-
-const word inertSpecie(thermo.lookup("inertSpecie"));
-
-if (!composition.contains(inertSpecie))
-{
-    FatalErrorInFunction
-        << "Specified inert specie '" << inertSpecie << "' not found in "
-        << "species list. Available species:" << composition.species()
-        << exit(FatalError);
-}
-
-volScalarField& p = thermo.p();
-
-volScalarField rho
-(
-    IOobject
-    (
-        "rho",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    thermo.rho()
-);
-
-Info<< "\nReading field U\n" << endl;
-volVectorField U
-(
-    IOobject
-    (
-        "U",
-        runTime.timeName(),
-        mesh,
-        IOobject::MUST_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh
-);
-
-#include "compressibleCreatePhi.H"
-
-mesh.setFluxRequired(p.name());
-
-dimensionedScalar rhoMax
-(
-    dimensionedScalar::lookupOrDefault
-    (
-        "rhoMax",
-        simple.dict(),
-        dimDensity,
-        GREAT
-    )
-);
-
-dimensionedScalar rhoMin
-(
-    dimensionedScalar::lookupOrDefault
-    (
-        "rhoMin",
-        simple.dict(),
-        dimDensity,
-        0
-    )
-);
-
-Info<< "Creating turbulence model\n" << endl;
-autoPtr<compressible::turbulenceModel> turbulence
-(
-    compressible::turbulenceModel::New
-    (
-        rho,
-        U,
-        phi,
-        thermo
-    )
-);
-
-// Set the turbulence into the combustion model
-combustion->setTurbulence(turbulence());
-
-Info<< "Creating multi-variate interpolation scheme\n" << endl;
-multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
-
-forAll(Y, i)
-{
-    fields.add(Y[i]);
-}
-fields.add(thermo.he());
-
-volScalarField dQ
-(
-    IOobject
-    (
-        "dQ",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh,
-    dimensionedScalar("dQ", dimEnergy/dimTime, 0.0)
-);
-
-#include "createMRF.H"
-#include "createRadiationModel.H"
-#include "createClouds.H"

applications/solvers/lagrangian/simpleCoalcombustionFoam/pEqn.H

@@ -1,57 +0,0 @@
-{
-    // Thermodynamic density needs to be updated by psi*d(p) after the
-    // pressure solution - done in 2 parts. Part 1:
-    thermo.rho() -= psi*p;
-
-    volScalarField rAU(1.0/UEqn.A());
-    surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rho*rAU));
-    volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
-    tUEqn.clear();
-    surfaceScalarField phiHbyA
-    (
-        "phiHbyA",
-        fvc::interpolate(rho)*fvc::flux(HbyA)
-    );
-
-    MRF.makeRelative(fvc::interpolate(rho), phiHbyA);
-
-    // Update the pressure BCs to ensure flux consistency
-    constrainPressure(p, rho, U, phiHbyA, rhorAUf, MRF);
-
-    while (simple.correctNonOrthogonal())
-    {
-        fvScalarMatrix pEqn
-        (
-            fvc::div(phiHbyA)
-          - fvm::laplacian(rhorAUf, p)
-         ==
-            parcels.Srho()
-          + fvOptions(psi, p, rho.name())
-        );
-
-        pEqn.solve();
-
-        if (simple.finalNonOrthogonalIter())
-        {
-            phi = phiHbyA + pEqn.flux();
-        }
-    }
-
-    p.relax();
-
-    // Second part of thermodynamic density update
-    thermo.rho() += psi*p;
-
-    #include "compressibleContinuityErrs.H"
-
-    U = HbyA - rAU*fvc::grad(p);
-    U.correctBoundaryConditions();
-    fvOptions.correct(U);
-
-    rho = thermo.rho();
-    rho = max(rho, rhoMin);
-    rho = min(rho, rhoMax);
-    rho.relax();
-
-    Info<< "p min/max = " << min(p).value() << ", " << max(p).value() << endl;
-}

applications/solvers/lagrangian/simpleCoalcombustionFoam/simpleCoalcombustionFoam.C

@@ -1,93 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2013-2016 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/>.
-
-Application
-    simpleCoalcombustionFoam
-
-Description
-    Steady state solver for compressible, turbulent flow with reacting,
-    multiphase particle clouds and optional sources/constraints.
-
-\*---------------------------------------------------------------------------*/
-
-#include "fvCFD.H"
-#include "turbulentFluidThermoModel.H"
-#include "coalCloudList.H"
-#include "rhoCombustionModel.H"
-#include "radiationModel.H"
-#include "IOporosityModelList.H"
-#include "fvOptions.H"
-#include "SLGThermo.H"
-#include "simpleControl.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-int main(int argc, char *argv[])
-{
-    #include "postProcess.H"
-
-    #include "setRootCase.H"
-    #include "createTime.H"
-    #include "createMesh.H"
-    #include "createControl.H"
-    #include "createFields.H"
-    #include "createFieldRefs.H"
-    #include "createFvOptions.H"
-    #include "initContinuityErrs.H"
-
-    turbulence->validate();
-
-    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-    Info<< "\nStarting time loop\n" << endl;
-
-    while (simple.loop())
-    {
-        Info<< "Time = " << runTime.timeName() << nl << endl;
-
-        parcels.evolve();
-
-        // --- Pressure-velocity SIMPLE corrector loop
-        {
-            #include "UEqn.H"
-            #include "YEqn.H"
-            #include "EEqn.H"
-            #include "pEqn.H"
-        }
-
-        turbulence->correct();
-
-        runTime.write();
-
-        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
-            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
-            << nl << endl;
-    }
-
-    Info<< "End\n" << endl;
-
-    return 0;
-}
-
-
-// ************************************************************************* //

src/lagrangian/coalCombustion/include/makeCoalParcelSurfaceReactionModels.H

@@ -34,7 +34,6 @@ License
 #include "COxidationKineticDiffusionLimitedRate.H"
 #include "COxidationHurtMitchell.H"
 #include "COxidationMurphyShaddix.H"
-#include "COxidationKD_CO.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -48,7 +47,6 @@ License
     );                                                                         \
     makeSurfaceReactionModelType(COxidationIntrinsicRate, CloudType);          \
     makeSurfaceReactionModelType(COxidationHurtMitchell, CloudType);           \
-    makeSurfaceReactionModelType(COxidationKD_CO, CloudType);                  \
     makeSurfaceReactionModelType(COxidationMurphyShaddix, CloudType);
 
 

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKD_CO/COxidationKD_CO.C

@@ -1,178 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 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 "COxidationKD_CO.H"
-#include "mathematicalConstants.H"
-#include "thermodynamicConstants.H"
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-template<class CloudType>
-Foam::COxidationKD_CO<CloudType>::
-COxidationKD_CO
-(
-    const dictionary& dict,
-    CloudType& owner
-)
-:
-    SurfaceReactionModel<CloudType>(dict, owner, typeName),
-    Sb_(readScalar(this->coeffDict().lookup("Sb"))),
-    C1_(readScalar(this->coeffDict().lookup("C1"))),
-    C2_(readScalar(this->coeffDict().lookup("C2"))),
-    E_(readScalar(this->coeffDict().lookup("E"))),
-    CsLocalId_(-1),
-    O2GlobalId_(owner.composition().carrierId("O2")),
-    COGlobalId_(owner.composition().carrierId("CO")),
-    WC_(0.0),
-    WO2_(0.0),
-    HcCO_(0.0)
-{
-    // Determine Cs ids
-    label idSolid = owner.composition().idSolid();
-    CsLocalId_ = owner.composition().localId(idSolid, "C");
-
-    // Set local copies of thermo properties
-    WO2_ = owner.thermo().carrier().W(O2GlobalId_);
-    const scalar WCO = owner.thermo().carrier().W(COGlobalId_);
-    WC_ = WCO - 0.5*WO2_;
-
-    HcCO_ = owner.thermo().carrier().Hc(COGlobalId_);
-
-    const scalar YCloc = owner.composition().Y0(idSolid)[CsLocalId_];
-    const scalar YSolidTot = owner.composition().YMixture0()[idSolid];
-    Info<< "    C(s): particle mass fraction = " << YCloc*YSolidTot << endl;
-}
-
-
-template<class CloudType>
-Foam::COxidationKD_CO<CloudType>::
-COxidationKD_CO
-(
-    const COxidationKD_CO<CloudType>& srm
-)
-:
-    SurfaceReactionModel<CloudType>(srm),
-    Sb_(srm.Sb_),
-    C1_(srm.C1_),
-    C2_(srm.C2_),
-    E_(srm.E_),
-    CsLocalId_(srm.CsLocalId_),
-    O2GlobalId_(srm.O2GlobalId_),
-    COGlobalId_(srm.COGlobalId_),
-    WC_(srm.WC_),
-    WO2_(srm.WO2_),
-    HcCO_(srm.HcCO_)
-{}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class CloudType>
-Foam::COxidationKD_CO<CloudType>::
-~COxidationKD_CO()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-template<class CloudType>
-Foam::scalar Foam::COxidationKD_CO<CloudType>::calculate
-(
-    const scalar dt,
-    const label cellI,
-    const scalar d,
-    const scalar T,
-    const scalar Tc,
-    const scalar pc,
-    const scalar rhoc,
-    const scalar mass,
-    const scalarField& YGas,
-    const scalarField& YLiquid,
-    const scalarField& YSolid,
-    const scalarField& YMixture,
-    const scalar N,
-    scalarField& dMassGas,
-    scalarField& dMassLiquid,
-    scalarField& dMassSolid,
-    scalarField& dMassSRCarrier
-) const
-{
-    // Fraction of remaining combustible material
-    const label idSolid = CloudType::parcelType::SLD;
-    const scalar fComb = YMixture[idSolid]*YSolid[CsLocalId_];
-
-    // Surface combustion active combustible fraction is consumed
-    if (fComb < SMALL)
-    {
-        return 0.0;
-    }
-
-    const SLGThermo& thermo = this->owner().thermo();
-
-    // Local mass fraction of O2 in the carrier phase
-    const scalar YO2 = thermo.carrier().Y(O2GlobalId_)[cellI];
-
-    // Diffusion rate coefficient
-    const scalar D0 = C1_/d*pow(0.5*(T + Tc), 0.75);
-
-    // Kinetic rate
-    const scalar Rk = C2_*exp(-E_/(constant::thermodynamic::RR*T)); //
-
-    // Particle surface area
-    const scalar Ap = constant::mathematical::pi*sqr(d);
-
-    // Change in C mass [kg]
-    scalar dmC = Ap*rhoc*constant::thermodynamic::RR*Tc*YO2/WO2_*D0*Rk/(D0 + Rk)*dt;
-
-    // Limit mass transfer by availability of C
-    dmC = min(mass*fComb, dmC);
-
-    // Molar consumption
-    const scalar dOmega = dmC/WC_;
-
-    // Change in O2 mass [kg]
-    const scalar dmO2 = dOmega*Sb_*WO2_;
-
-    // Mass of newly created CO [kg]
-    const scalar dmCO = dOmega*(WC_ + Sb_*WO2_);
-
-    // Update local particle C mass
-    dMassSolid[CsLocalId_] += dOmega*WC_;
-
-    // Update carrier O2 and CO mass
-    dMassSRCarrier[O2GlobalId_] -= dmO2;
-    dMassSRCarrier[COGlobalId_] += dmCO;
-
-    const scalar HsC = thermo.solids().properties()[CsLocalId_].Hs(T);
-
-    // carrier sensible enthalpy exchange handled via change in mass
-
-    // Heat of reaction [J]
-//Info<<"Heat of reaction(Char)"<<tab<<(dmC*HsC - dmCO*HcCO_)/dmC<<endl;
-    return dmC*HsC - dmCO*HcCO_;
-}
-
-
-// ************************************************************************* //

src/lagrangian/coalCombustion/submodels/surfaceReactionModel/COxidationKD_CO/COxidationKD_CO.H

@@ -1,176 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 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
-    COxidationKD_CO
-
-Description
-    Kinetic/diffusion limited rate surface reaction model for coal parcels.
-    Limited to:
-
-        C(s) + Sb*O2 -> CO
-
-    where Sb is the stoichiometry of the reaction
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef COxidationKD_CO_H
-#define COxidationKD_CO_H
-
-#include "SurfaceReactionModel.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// Forward class declarations
-template<class CloudType>
-class COxidationKD_CO;
-
-/*---------------------------------------------------------------------------*\
-            Class COxidationKD_CO Declaration
-\*---------------------------------------------------------------------------*/
-
-template<class CloudType>
-class COxidationKD_CO
-:
-    public SurfaceReactionModel<CloudType>
-{
-    // Private data
-
-        // Model constants
-
-            //- Stoichiometry of reaction
-            const scalar Sb_;
-
-            //- Mass diffusion limited rate constant, C1
-            const scalar C1_;
-
-            //- Kinetics limited rate pre-exponential constant, C2
-            const scalar C2_;
-
-            //- Kinetics limited rate activation energy
-            const scalar E_;
-
-
-        // Addressing
-
-            //- Cs positions in global/local lists
-            label CsLocalId_;
-
-            //- O2 position in global list
-            label O2GlobalId_;
-
-            //- CO2 positions in global list
-            label COGlobalId_;
-
-
-        // Local copies of thermo properties
-
-            //- Molecular weight of C [kg/kmol]
-            scalar WC_;
-
-            //- Molecular weight of O2 [kg/kmol]
-            scalar WO2_;
-
-            //- Formation enthalpy for CO2 [J/kg]
-            scalar HcCO_;
-
-
-public:
-
-    //- Runtime type information
-    TypeName("COxidationKD_CO");
-
-
-    // Constructors
-
-        //- Construct from dictionary
-        COxidationKD_CO
-        (
-            const dictionary& dict,
-            CloudType& owner
-        );
-
-        //- Construct copy
-        COxidationKD_CO
-        (
-            const COxidationKD_CO<CloudType>& srm
-        );
-
-        //- Construct and return a clone
-        virtual autoPtr<SurfaceReactionModel<CloudType> > clone() const
-        {
-            return autoPtr<SurfaceReactionModel<CloudType> >
-            (
-                new COxidationKD_CO<CloudType>(*this)
-            );
-        }
-
-
-    //- Destructor
-    virtual ~COxidationKD_CO();
-
-
-    // Member Functions
-
-        //- Update surface reactions
-        virtual scalar calculate
-        (
-            const scalar dt,
-            const label cellI,
-            const scalar d,
-            const scalar T,
-            const scalar Tc,
-            const scalar pc,
-            const scalar rhoc,
-            const scalar mass,
-            const scalarField& YGas,
-            const scalarField& YLiquid,
-            const scalarField& YSolid,
-            const scalarField& YMixture,
-            const scalar N,
-            scalarField& dMassGas,
-            scalarField& dMassLiquid,
-            scalarField& dMassSolid,
-            scalarField& dMassSRCarrier
-        ) const;
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#ifdef NoRepository
-    #include "COxidationKD_CO.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/lagrangian/intermediate/Make/files

@@ -50,12 +50,6 @@ $(KINEMATICMPPICPARCEL)/defineBasicKinematicMPPICParcel.C
 $(KINEMATICMPPICPARCEL)/makeBasicKinematicMPPICParcelSubmodels.C
 
 
-/* thermo kinematic MPPIC parcel sub-models */
-THERMOMPPICPARCEL=$(DERIVEDPARCELS)/basicThermoKinematicMPPICParcel
-$(THERMOMPPICPARCEL)/defineBasicThermoKinematicMPPICParcel.C
-$(THERMOMPPICPARCEL)/makeBasicThermoKinematicMPPICParcelSubmodels.C
-
-
 /* bolt-on models */
 RADIATION=submodels/addOns/radiation
 $(RADIATION)/absorptionEmission/cloudAbsorptionEmission/cloudAbsorptionEmission.C

src/lagrangian/intermediate/clouds/Templates/ThermoCloud/ThermoCloud.C

@@ -213,88 +213,6 @@ Foam::ThermoCloud<CloudType>::ThermoCloud
 }
 
 
-template<class CloudType>
-Foam::ThermoCloud<CloudType>::ThermoCloud
-(
-    const word& cloudName,
-    const volScalarField& rho,
-    const volVectorField& U,
-    const volScalarField& mu,
-    const dimensionedVector& g,
-    bool readFields
-)
-:
-    CloudType
-    (
-        cloudName,
-        rho,
-        U,
-        mu,
-        g,
-        false
-    ),
-    thermoCloud(),
-    cloudCopyPtr_(NULL),
-    constProps_(this->particleProperties()),
-    thermo_(this->mesh().template lookupObject<SLGThermo>("SLGThermo")),
-    T_(thermo_.thermo().T()),
-    p_(thermo_.thermo().p()),
-    heatTransferModel_(NULL),
-    TIntegrator_(NULL),
-    radiation_(false),
-    radAreaP_(NULL),
-    radT4_(NULL),
-    radAreaPT4_(NULL),
-    hsTrans_
-    (
-        new DimensionedField<scalar, volMesh>
-        (
-            IOobject
-            (
-                this->name() + ":hsTrans",
-                this->db().time().timeName(),
-                this->db(),
-                IOobject::READ_IF_PRESENT,
-                IOobject::AUTO_WRITE
-            ),
-            this->mesh(),
-            dimensionedScalar("zero", dimEnergy, 0.0)
-        )
-    ),
-    hsCoeff_
-    (
-        new DimensionedField<scalar, volMesh>
-        (
-            IOobject
-            (
-                this->name() + ":hsCoeff",
-                this->db().time().timeName(),
-                this->db(),
-                IOobject::READ_IF_PRESENT,
-                IOobject::AUTO_WRITE
-            ),
-            this->mesh(),
-            dimensionedScalar("zero", dimEnergy/dimTemperature, 0.0)
-        )
-    )
-{
-    if (this->solution().active())
-    {
-        setModels();
-
-        if (readFields)
-        {
-            parcelType::readFields(*this);
-        }
-    }
-
-    if (this->solution().resetSourcesOnStartup())
-    {
-        resetSourceTerms();
-    }
-}
-
-
 template<class CloudType>
 Foam::ThermoCloud<CloudType>::ThermoCloud
 (

src/lagrangian/intermediate/clouds/Templates/ThermoCloud/ThermoCloud.H

@@ -180,17 +180,6 @@ public:
             bool readFields = true
         );
 
-        //- Construct given carrier gas fields
-        ThermoCloud
-        (
-            const word& cloudName,
-            const volScalarField& rho,
-            const volVectorField& U,
-            const volScalarField& mu,
-            const dimensionedVector& g,
-            bool readFields = true
-        );
-
         //- Copy constructor with new name
         ThermoCloud(ThermoCloud<CloudType>& c, const word& name);
 

src/lagrangian/intermediate/clouds/derived/basicThermoKinematicMPPICCloud/basicThermoKinematicMPPICCloud.H

@@ -1,66 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 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/>.
-
-Class
-    Foam::basicThermoKinematicMPPICCloud
-
-Description
-    Cloud class to introduce Thermo kinematic MPPIC parcels
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef basicThermoKinematicMPPICCloud_H
-#define basicThermoKinematicMPPICCloud_H
-
-#include "Cloud.H"
-#include "KinematicCloud.H"
-#include "MPPICCloud.H"
-#include "basicThermoKinematicMPPICParcel.H"
-
-#include "ThermoCloud.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-    typedef MPPICCloud
-    <
-       ThermoCloud
-       <
-           KinematicCloud
-           <
-                Cloud
-                <
-                    basicThermoKinematicMPPICParcel
-                >
-           >
-       >
-    >
-    basicThermoKinematicMPPICCloud;
-}
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/lagrangian/intermediate/parcels/derived/basicThermoKinematicMPPICParcel/basicThermoKinematicMPPICParcel.H

@@ -1,63 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2013-2016 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::basicThermoKinematicMPPICParcel
-
-Description
-    Definition of basic Thermo kinematic MPPIC parcel
-
-SourceFiles
-    basicThermoKinematicMPPICParcel.H
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef basicThermoKinematicMPPICParcel_H
-#define basicThermoKinematicMPPICParcel_H
-
-#include "contiguous.H"
-#include "particle.H"
-#include "KinematicParcel.H"
-#include "MPPICParcel.H"
-
-#include "ThermoParcel.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-    typedef MPPICParcel < ThermoParcel < KinematicParcel < particle > > > basicThermoKinematicMPPICParcel;
-
-    template<>
-    inline bool contiguous<basicThermoKinematicMPPICParcel>()
-    {
-        return true;
-    }
-}
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/lagrangian/intermediate/parcels/derived/basicThermoKinematicMPPICParcel/defineBasicThermoKinematicMPPICParcel.C

@@ -1,38 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 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/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "basicThermoKinematicMPPICParcel.H"
-#include "Cloud.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-    defineTemplateTypeNameAndDebug(basicThermoKinematicMPPICParcel, 0);
-    defineTemplateTypeNameAndDebug(Cloud<basicThermoKinematicMPPICParcel>, 0);
-}
-
-
-// ************************************************************************* //

src/lagrangian/intermediate/parcels/derived/basicThermoKinematicMPPICParcel/makeBasicThermoKinematicMPPICParcelSubmodels.C

@@ -1,67 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2013-2015 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 "basicThermoKinematicMPPICCloud.H"
-
-#include "makeParcelCloudFunctionObjects.H"
-
-// Kinematic sub-models
-#include "makeParcelForces.H"
-#include "makeParcelDispersionModels.H"
-#include "makeParcelInjectionModels.H"
-#include "makeParcelPatchInteractionModels.H"
-#include "makeParcelStochasticCollisionModels.H"
-#include "makeParcelSurfaceFilmModels.H"
-
-// MPPIC sub-models
-#include "makeMPPICParcelDampingModels.H"
-#include "makeMPPICParcelIsotropyModels.H"
-#include "makeMPPICParcelPackingModels.H"
-
-// Thermo sub-models
-#include "makeParcelHeatTransferModels.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-makeParcelCloudFunctionObjects(basicThermoKinematicMPPICCloud);
-
-// Kinematic sub-models
-makeParcelForces(basicThermoKinematicMPPICCloud);
-
-makeParcelDispersionModels(basicThermoKinematicMPPICCloud);
-makeParcelInjectionModels(basicThermoKinematicMPPICCloud);
-makeParcelPatchInteractionModels(basicThermoKinematicMPPICCloud);
-makeParcelStochasticCollisionModels(basicThermoKinematicMPPICCloud);
-makeParcelSurfaceFilmModels(basicThermoKinematicMPPICCloud);
-
-// MPPIC sub-models
-makeMPPICParcelDampingModels(basicThermoKinematicMPPICCloud);
-makeMPPICParcelIsotropyModels(basicThermoKinematicMPPICCloud);
-makeMPPICParcelPackingModels(basicThermoKinematicMPPICCloud);
-
-// Thermo sub-models
-makeParcelHeatTransferModels(basicThermoKinematicMPPICCloud);
-
-// ************************************************************************* //

src/thermophysicalModels/radiation/Make/files

@@ -25,7 +25,6 @@ submodels/absorptionEmissionModel/binaryAbsorptionEmission/binaryAbsorptionEmiss
 submodels/absorptionEmissionModel/greyMeanAbsorptionEmission/greyMeanAbsorptionEmission.C
 submodels/absorptionEmissionModel/wideBandAbsorptionEmission/wideBandAbsorptionEmission.C
 submodels/absorptionEmissionModel/greyMeanSolidAbsorptionEmission/greyMeanSolidAbsorptionEmission.C
-submodels/absorptionEmissionModel/wsggmAbsorptionEmission/wsggmAbsorptionEmission.C
 
 /* Soot model */
 submodels/sootModel/sootModel/sootModel.C

src/thermophysicalModels/radiation/submodels/absorptionEmissionModel/wsggmAbsorptionEmission/wsggmAbsorptionEmission.C

@@ -1,206 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  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/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "wsggmAbsorptionEmission.H"
-#include "addToRunTimeSelectionTable.H"
-#include "unitConversion.H"
-#include "zeroGradientFvPatchFields.H"
-#include "basicSpecieMixture.H"
-
-// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
-
-namespace Foam
-{
-    namespace radiation
-    {
-        defineTypeNameAndDebug(wsggmAbsorptionEmission, 0);
-
-        addToRunTimeSelectionTable
-        (
-            absorptionEmissionModel,
-            wsggmAbsorptionEmission,
-            dictionary
-        );
-    }
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-Foam::radiation::wsggmAbsorptionEmission::wsggmAbsorptionEmission
-(
-    const dictionary& dict,
-    const fvMesh& mesh
-)
-:
-    absorptionEmissionModel(dict, mesh),
-    coeffsDict_((dict.subDict(typeName + "Coeffs"))),
-    thermo_(mesh.lookupObject<fluidThermo>("thermophysicalProperties")),
-    emissivityCoeffs_(coeffsDict_.lookup("emissivityCoeffs")),
-    fittingFactors_(coeffsDict_.lookup("fittingFactors")),
-    pathLength_(coeffsDict_.lookup("pathLength"))
-{
-    if (!isA<basicMultiComponentMixture>(thermo_))
-    {
-        FatalErrorIn
-        (
-            "radiation::wsggmAbsorptionEmission::wsggmAbsorptionEmission"
-            "("
-                "const dictionary&, "
-                "const fvMesh&"
-            ")"
-        )   << "Model requires a multi-component thermo package"
-            << abort(FatalError);
-    }
-}
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-Foam::radiation::wsggmAbsorptionEmission::~wsggmAbsorptionEmission()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-Foam::tmp<Foam::volScalarField>
-Foam::radiation::wsggmAbsorptionEmission::aCont(const label bandI) const
-{
-
-    const basicSpecieMixture& mixture =
-        dynamic_cast<const basicSpecieMixture&>(thermo_);
-
-    const volScalarField& T = thermo_.T();
-    const volScalarField& p = thermo_.p();
-
-    tmp<volScalarField> ta
-    (
-        new volScalarField
-        (
-            IOobject
-            (
-                "aCont" + name(bandI),
-                mesh().time().timeName(),
-                mesh(),
-                IOobject::NO_READ,
-                IOobject::NO_WRITE
-            ),
-            mesh(),
-            dimensionedScalar("a", dimless/dimLength, 0.0),
-            zeroGradientFvPatchVectorField::typeName
-        )
-    );
-
-    scalarField& a = ta.ref().primitiveFieldRef();
-
-    label indexCO2, indexH2O;
-    scalar wCO2, wH2O;
-    forAll(mixture.Y(), specieI)
-    {
-        if(mixture.Y(specieI).name() == "CO2")
-        {
-            indexCO2 = specieI;
-            wCO2 = mixture.W(indexCO2);
-        }
-        else if(mixture.Y(specieI).name() == "H2O")
-        {
-            indexH2O = specieI;
-            wH2O = mixture.W(indexH2O);
-        }
-    }
-
-    forAll(a,celli)
-    {
-        scalar invWt = 0.0;
-        forAll(mixture.Y(), specieI)
-        {
-            invWt += mixture.Y(specieI)[celli]/mixture.W(specieI);
-        }
-        scalar meanWt = 1.0/invWt; //Mean molecular weight [kg/kmole]
-
-        // Sum of partial pressures of all absorbing gases [atm]
-        scalar Pcell_atm =  paToAtm(meanWt*p[celli]*(mixture.Y(indexCO2)[celli]/wCO2 + mixture.Y(indexH2O)[celli]/wH2O));
-
-        // P*S at Eq.(1) of Ref. [atm*m]
-        scalar presPathLength = Pcell_atm*pathLength_.value();
-
-        // Limit cell temperature [K]
-        scalar Tcell = min(T[celli],2400.0);
-
-        scalar emissivity = 0.0;
-        forAll(emissivityCoeffs_, i) //k_i at Eq.(1) of Ref.
-        {
-            scalar weightingFactor = 0.0;
-            for(label j=0 ; j<4 ; j++)
-            {
-                //a_epsilon_i at Eq.(3) of Ref.
-                weightingFactor += fittingFactors_[i][j]*pow(Tcell, j);
-            }
-            //epsilon at Eq.(1) of Ref.
-            emissivity += weightingFactor * (1.0 - exp(-1.0*emissivityCoeffs_[i] * presPathLength));
-        }
-        emissivity = min(emissivity, 0.99999);
-
-        //Fluent theory guide(ver. 13) Eq.(5-106) [1/m]
-        a[celli] = max(1e-2, (-1.0)*log(1.0-emissivity)/pathLength_.value());
-    }
-
-    ta.ref().correctBoundaryConditions();
-
-    return ta;
-}
-
-
-Foam::tmp<Foam::volScalarField>
-Foam::radiation::wsggmAbsorptionEmission::eCont(const label bandI) const
-{
-   return aCont(bandI);
-}
-
-
-Foam::tmp<Foam::volScalarField>
-Foam::radiation::wsggmAbsorptionEmission::ECont(const label bandI) const
-{
-    tmp<volScalarField> E
-    (
-        new volScalarField
-        (
-            IOobject
-            (
-                "ECont" + name(bandI),
-                mesh_.time().timeName(),
-                mesh_,
-                IOobject::NO_READ,
-                IOobject::NO_WRITE
-            ),
-            mesh_,
-            dimensionedScalar("E", dimMass/dimLength/pow3(dimTime), 0.0)
-        )
-    );
-
-    return E;
-}
-
-
-// ************************************************************************* //

src/thermophysicalModels/radiation/submodels/absorptionEmissionModel/wsggmAbsorptionEmission/wsggmAbsorptionEmission.H

@@ -1,163 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2012 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::radiation::wsggmAbsorptionEmission
-
-Description
-    wsggmAbsorptionEmission radiation absorption and emission coefficients
-    for continuous phase
-
-    Ref. T.F Smith, Z.F. Shen and J.N. Friedman
-         Evaluation of Coefficients for the Weighted Sum of Gray Gases Model,
-         Transactions of the ASME, Vol. 104, pp. 602-608
-
-    Valid when Ptotal = 1atm, 0.001 < P*S < 10.0atm.m, 600 < T < 2400K
-               (where P*S = sum of partial pressures of absorbing gases
-                            * mean beam length)
-
-    i.e. dictionary
-    \verbatim
-        wsggmAbsorptionEmissionCoeffs
-        {
-            pathLength pathLength [ 0 1  0  0  0  0  0] 0.251; //3.6V/S
-            // Pw/Pc = 2.0
-            emissivityCoeffs 3(0.4201 6.516 131.9);
-            fittingFactors
-            3
-            (
-                4(6.508e-1 -5.551e-4 3.029e-7  -5.353e-11)
-                4(-0.2504e-1  6.112e-4  -3.882e-7  6.528e-11)
-                4(2.718e-1 -3.118e-4  1.221e-7  -1.612e-11)
-            );
-        }
-    \endverbatim
-
-
-SourceFiles
-    wsggmAbsorptionEmission.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef wsggmAbsorptionEmission_H
-#define wsggmAbsorptionEmission_H
-
-#include "interpolationLookUpTable.H"
-#include "absorptionEmissionModel.H"
-#include "HashTable.H"
-#include "absorptionCoeffs.H"
-#include "fluidThermo.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-namespace radiation
-{
-
-/*---------------------------------------------------------------------------*\
-                 Class wsggmAbsorptionEmission Declaration
-\*---------------------------------------------------------------------------*/
-
-class wsggmAbsorptionEmission
-:
-    public absorptionEmissionModel
-{
-public:
-
-private:
-
-    // Private data
-
-    //- Absorption model dictionary
-    dictionary coeffsDict_;
-
-    //- SLG thermo package
-    const fluidThermo& thermo_;
-
-    //- absorption coefficitent for individual grey gases
-    scalarList emissivityCoeffs_;
-
-    //- fitting Factors
-    scalarListList fittingFactors_;
-
-    //characteristic path length [m] from dict
-    dimensionedScalar pathLength_;
-
-public:
-
-    //- Runtime type information
-    TypeName("wsggmAbsorptionEmission");
-
-
-    // Constructors
-
-        //- Construct from components
-        wsggmAbsorptionEmission(const dictionary& dict, const fvMesh& mesh);
-
-
-    //- Destructor
-    virtual ~wsggmAbsorptionEmission();
-
-
-    // Member Functions
-
-        // Access
-
-            // Absorption coefficient
-
-                //- Absorption coefficient for continuous phase
-                tmp<volScalarField> aCont(const label bandI = 0) const;
-
-
-            // Emission coefficient
-
-                //- Emission coefficient for continuous phase
-                tmp<volScalarField> eCont(const label bandI = 0) const;
-
-
-            // Emission contribution
-
-                //- Emission contribution for continuous phase
-                tmp<volScalarField> ECont(const label bandI = 0) const;
-
-
-    // Member Functions
-
-        inline bool isGrey() const
-        {
-            return true;
-        }
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace radiation
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L

@@ -148,7 +148,7 @@ irreversibleReactionDelimiter {space}"=>"{space}
 startPDependentSpecie {space}"("{space}"+"{space}
 pDependentSpecie      {specieName}")"{space}
 reactionCoeffs        {space}{floatNum}{some_space}{floatNum}{some_space}{floatNum}{space}
-reactionKeyword       {space}[A-Za-z](([A-Za-z0-9)*-])|("("[^+]))*{space}
+reactionKeyword       {space}[A-Za-z](([A-Za-z0-9)*-])|("("[^+]))*((\+({some_space}))?){space}
 reactionKeywordSlash  {reactionKeyword}"/"{space}
 thirdBodyEfficiency   {space}{floatNum}{space}"/"{space}
 startReactionCoeffs   {space}"/"{space}
@@ -637,7 +637,8 @@ bool finishReaction = false;
                     (
                         currentSpecieName,
                         1.0,
-                        molecularWeight(currentSpecieComposition)
+                        molecularWeight(currentSpecieComposition),
+                        chargeNumber(currentSpecieComposition)
                     ),
                     currentLowT,
                     currentHighT,

src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C

@@ -144,6 +144,28 @@ Foam::scalar Foam::chemkinReader::molecularWeight
 }
 
 
+Foam::scalar Foam::chemkinReader::chargeNumber
+(
+    const List<specieElement>& specieComposition
+) const
+{
+    scalar nElemCharges = 0.0;
+
+    forAll(specieComposition, i)
+    {
+        label nAtoms = specieComposition[i].nAtoms;
+        const word& elementName = specieComposition[i].elementName;
+
+        if (elementName[0] == 'e')
+        {
+            nElemCharges -= nAtoms;
+        }
+    }
+
+    return nElemCharges;
+}
+
+
 void Foam::chemkinReader::checkCoeffs
 (
     const scalarList& reactionCoeffs,

src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H

@@ -254,6 +254,11 @@ private:
             const List<specieElement>& specieComposition
         ) const;
 
+        scalar chargeNumber
+        (
+            const List<specieElement>& specieComposition
+        ) const;
+
         void finishElements(labelList& currentAtoms);
 
         void checkCoeffs

src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C

@@ -68,6 +68,70 @@ Foam::scalar Foam::SpecieMixture<MixtureType>::W
 }
 
 
+template<class MixtureType>
+Foam::scalar Foam::SpecieMixture<MixtureType>::z
+(
+    const label speciei
+) const
+{
+    return this->getLocalThermo(speciei).z();
+}
+
+
+template<class MixtureType>
+Foam::scalar Foam::SpecieMixture<MixtureType>::Qc
+(
+    const label speciei
+) const
+{
+    return this->getLocalThermo(speciei).Qc();
+}
+
+
+template<class MixtureType>
+Foam::scalar Foam::SpecieMixture<MixtureType>::Qc2
+(
+    const label speciei
+) const
+{
+    return this->getLocalThermo(speciei).Qc2();
+}
+
+
+template<class MixtureType>
+void Foam::SpecieMixture<MixtureType>::Cp
+(
+    scalarField& Cps,
+    const scalar p,
+    const scalar T
+) const
+{
+    forAll(this->species(), speciei)
+    {
+        Cps[speciei] = this->getLocalThermo(speciei).Cp(p, T);
+    }
+
+    return;
+}
+
+
+template<class MixtureType>
+void Foam::SpecieMixture<MixtureType>::Cv
+(
+    scalarField& Cvs,
+    const scalar p,
+    const scalar T
+) const
+{
+    forAll(this->species(), speciei)
+    {
+        Cvs[speciei] = this->getLocalThermo(speciei).Cv(p, T);
+    }
+
+    return;
+}
+
+
 template<class MixtureType>
 Foam::scalar Foam::SpecieMixture<MixtureType>::Cp
 (

src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H

@@ -81,6 +81,34 @@ public:
             //- Molecular weight of the given specie [kg/kmol]
             virtual scalar W(const label speciei) const;
 
+            //- Number of charges of the given specie []
+            virtual scalar z(const label speciei) const;
+
+            //- Specific charge of the given specie []
+            virtual scalar Qc(const label specieI) const;
+
+            //- Absolute specific charge of the given specie []
+            virtual scalar Qc2(const label specieI) const;
+
+
+        // All species thermo properties
+
+            //- Heat capacity at constant pressure [J/(kg K)]
+            virtual void Cp
+            (
+                scalarField& Cps,
+                const scalar p,
+                const scalar T
+            ) const;
+
+            //- Heat capacity at constant volume [J/(kg K)]
+            virtual void Cv
+            (
+                scalarField& Cvs,
+                const scalar p,
+                const scalar T
+            ) const;
+
 
         // Per specie thermo properties
 

src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C

@@ -81,4 +81,72 @@ Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::W() const
 }
 
 
+Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::Qc() const
+{
+    const PtrList<volScalarField>& Y(basicMultiComponentMixture::Y());
+
+    tmp<volScalarField> tQc
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                IOobject::groupName("Qc", Y[0].group()),
+                Y[0].time().timeName(),
+                Y[0].mesh()
+            ),
+            Y[0].mesh(),
+            dimensionedScalar("zero", dimCurrent*dimTime/dimMass, 0)
+        )
+    );
+
+    volScalarField& Qc = tQc.ref();
+
+    dimensionedScalar Qci("Qci", dimCurrent*dimTime/dimMass, 0);
+
+    forAll(Y, i)
+    {
+        Qci.value() = this->Qc(i);
+        Qc += Y[i]*Qci;
+        // Qc += Y[i]*this->Qc(i);
+    }
+
+    return tQc;
+}
+
+
+Foam::tmp<Foam::volScalarField> Foam::basicSpecieMixture::Qc2() const
+{
+    const PtrList<volScalarField>& Y(basicMultiComponentMixture::Y());
+
+    tmp<volScalarField> tQc
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                IOobject::groupName("Qc2", Y[0].group()),
+                Y[0].time().timeName(),
+                Y[0].mesh()
+            ),
+            Y[0].mesh(),
+            dimensionedScalar("zero", sqr(dimCurrent*dimTime)/dimMass, 0)
+        )
+    );
+
+    volScalarField& Qc = tQc.ref();
+
+    dimensionedScalar Qc2i("Qc2i", sqr(dimCurrent*dimTime)/dimMass, 0);
+
+    forAll(Y, i)
+    {
+        Qc2i.value() = this->Qc2(i);
+        Qc += Y[i]*Qc2i;
+        //Qc += Y[i]*this->Qc2(i);
+    }
+
+    return tQc;
+}
+
+
 // ************************************************************************* //

src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H

@@ -88,9 +88,43 @@ public:
             //- Molecular weight of the given specie [kg/kmol]
             virtual scalar W(const label speciei) const = 0;
 
+            //- Number of charges of the given specie []
+            virtual scalar z(const label speciei) const = 0;
+
+            //- Specific charge of the given specie [C/kg]
+            virtual scalar Qc(const label speciei) const = 0;
+
+            //- Absolute specific charge of the given specie [C/kg]
+            virtual scalar Qc2(const label speciei) const = 0;
+
             //- Molecular weight of the mixture [kg/kmol]
             tmp<volScalarField> W() const;
 
+            //- Specific charge of the mixture [C/kg]
+            tmp<volScalarField> Qc() const;
+
+            //- Absolute specific charge of the mixture [C^2/kg]
+            tmp<volScalarField> Qc2() const;
+
+
+        // All species thermo properties
+
+            //- Heat capacity at constant pressure [J/(kg K)]
+            virtual void Cp
+            (
+                scalarField& Cps,
+                const scalar p,
+                const scalar T
+            ) const = 0;
+
+            //- Heat capacity at constant volume [J/(kg K)]
+            virtual void Cv
+            (
+                scalarField& Cvs,
+                const scalar p,
+                const scalar T
+            ) const = 0;
+
 
         // Per specie thermo properties
 

src/thermophysicalModels/specie/specie/specie.C

@@ -29,6 +29,24 @@ License
 
 /* * * * * * * * * * * * * * * public constants  * * * * * * * * * * * * * * */
 
+//- Universal gas constant (default in [J/(kmol K)])
+const Foam::scalar Foam::specie::RR = constant::physicoChemical::R.value()*1000;
+
+//- Standard pressure (default in [Pa])
+const Foam::scalar Foam::specie::Pstd = constant::standard::Pstd.value();
+
+//- Standard temperature (default in [K])
+const Foam::scalar Foam::specie::Tstd = constant::standard::Tstd.value();
+
+//- Elementary charge (default in [C])
+const Foam::scalar Foam::specie::e = constant::electromagnetic::e.value();
+
+//- Avogadro number (default in [1/mol])
+const Foam::scalar Foam::specie::NA = constant::physicoChemical::NA.value()*1000;
+
+//- Boltzmann constant (default in [J/K])
+const Foam::scalar Foam::specie::k = constant::physicoChemical::k.value();
+
 namespace Foam
 {
     defineTypeNameAndDebug(specie, 0);
@@ -41,7 +59,8 @@ Foam::specie::specie(Istream& is)
 :
     name_(is),
     nMoles_(readScalar(is)),
-    molWeight_(readScalar(is))
+    molWeight_(readScalar(is)),
+    nCharges_(readScalar(is))
 {
     is.check("specie::specie(Istream& is)");
 }
@@ -51,7 +70,8 @@ Foam::specie::specie(const dictionary& dict)
 :
     name_(dict.dictName()),
     nMoles_(readScalar(dict.subDict("specie").lookup("nMoles"))),
-    molWeight_(readScalar(dict.subDict("specie").lookup("molWeight")))
+    molWeight_(readScalar(dict.subDict("specie").lookup("molWeight"))),
+    nCharges_(dict.subDict("specie").lookupOrDefault("nCharges", 0.0))
 {}
 
 
@@ -62,6 +82,7 @@ void Foam::specie::write(Ostream& os) const
     dictionary dict("specie");
     dict.add("nMoles", nMoles_);
     dict.add("molWeight", molWeight_);
+    dict.add("nCharges", nCharges_);
     os  << indent << dict.dictName() << dict;
 }
 
@@ -72,7 +93,8 @@ Foam::Ostream& Foam::operator<<(Ostream& os, const specie& st)
 {
     os  << st.name_ << tab
         << st.nMoles_ << tab
-        << st.molWeight_;
+        << st.molWeight_ << tab
+        << st.nCharges_;
 
     os.check("Ostream& operator<<(Ostream& os, const specie& st)");
     return os;

src/thermophysicalModels/specie/specie/specie.H

@@ -77,6 +77,9 @@ class specie
         //- Molecular weight of specie [kg/kmol]
         scalar molWeight_;
 
+        //- Number of elementary charges of specie
+        scalar nCharges_;
+
 
 public:
 
@@ -84,6 +87,29 @@ public:
     ClassName("specie");
 
 
+    // Public constants
+
+        // Thermodynamic constants
+
+            //- Universal gas constant [J/(kmol K)]
+            static const scalar RR;
+
+            //- Standard pressure [Pa]
+            static const scalar Pstd;
+
+            //- Standard temperature [K]
+            static const scalar Tstd;
+
+            //- Elementary charge [C]
+            static const scalar e;
+
+            //- Avogadro number [1/kmol]
+            static const scalar NA;
+
+            //- Boltzmann constant [J/K]
+            static const scalar k;
+
+
     // Constructors
 
 
@@ -98,6 +124,23 @@ public:
             const scalar molWeight
         );
 
+        //- Construct from components without name
+        inline specie
+        (
+            const scalar nMoles,
+            const scalar molWeight,
+            const scalar nCharges
+        );
+
+        //- Construct from components with name
+        inline specie
+        (
+            const word& name,
+            const scalar nMoles,
+            const scalar molWeight,
+            const scalar nCharges
+        );
+
         //- Construct as copy
         inline specie(const specie&);
 
@@ -127,6 +170,27 @@ public:
             //- Gas constant [J/(kg K)]
             inline scalar R() const;
 
+            //- Charge number
+            inline scalar z() const;
+
+
+        // Electric charge function
+
+
+            // Mole specific properties
+
+                //- Electric charge [C/kmol]
+                inline scalar qc() const;
+
+
+            // Mass specific properties
+
+                //- Electric charge [C/kg]
+                inline scalar Qc() const;
+
+                //- Electric charge squared [C^2/kg]
+                inline scalar Qc2() const;
+
 
         // I-O
 

src/thermophysicalModels/specie/specie/specieI.H

@@ -41,7 +41,8 @@ inline specie::specie
 :
     name_(name),
     nMoles_(nMoles),
-    molWeight_(molWeight)
+    molWeight_(molWeight),
+    nCharges_(0.0)
 {}
 
 
@@ -52,7 +53,36 @@ inline specie::specie
 )
 :
     nMoles_(nMoles),
-    molWeight_(molWeight)
+    molWeight_(molWeight),
+    nCharges_(0.0)
+{}
+
+
+inline specie::specie
+(
+    const word& name,
+    const scalar nMoles,
+    const scalar molWeight,
+    const scalar nCharges
+)
+:
+    name_(name),
+    nMoles_(nMoles),
+    molWeight_(molWeight),
+    nCharges_(nCharges)
+{}
+
+
+inline specie::specie
+(
+    const scalar nMoles,
+    const scalar molWeight,
+    const scalar nCharges
+)
+:
+    nMoles_(nMoles),
+    molWeight_(molWeight),
+    nCharges_(nCharges)
 {}
 
 
@@ -62,7 +92,8 @@ inline specie::specie(const specie& st)
 :
     name_(st.name_),
     nMoles_(st.nMoles_),
-    molWeight_(st.molWeight_)
+    molWeight_(st.molWeight_),
+    nCharges_(st.nCharges_)
 {}
 
 
@@ -70,7 +101,8 @@ inline specie::specie(const word& name, const specie& st)
 :
     name_(name),
     nMoles_(st.nMoles_),
-    molWeight_(st.molWeight_)
+    molWeight_(st.molWeight_),
+    nCharges_(st.nCharges_)
 {}
 
 
@@ -100,6 +132,30 @@ inline scalar specie::R() const
 }
 
 
+inline scalar specie::z() const
+{
+    return nCharges_;
+}
+
+
+inline scalar specie::qc() const
+{
+    return nCharges_ * NA * e;
+}
+
+
+inline scalar specie::Qc() const
+{
+    return nCharges_ * NA * e / molWeight_;
+}
+
+
+inline scalar specie::Qc2() const
+{
+    return nCharges_ * nCharges_ * NA * e * e / molWeight_;
+}
+
+
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
 inline void specie::operator=(const specie& st)
@@ -107,6 +163,7 @@ inline void specie::operator=(const specie& st)
     //name_ = st.name_;
     nMoles_ = st.nMoles_;
     molWeight_ = st.molWeight_;
+    nCharges_ = st.nCharges_;
 }
 
 
@@ -114,6 +171,10 @@ inline void specie::operator+=(const specie& st)
 {
     scalar sumNmoles = max(nMoles_ + st.nMoles_, SMALL);
 
+    nCharges_ =
+        nMoles_/sumNmoles*nCharges_
+      + st.nMoles_/sumNmoles*st.nCharges_;
+
     molWeight_ =
         nMoles_/sumNmoles*molWeight_
       + st.nMoles_/sumNmoles*st.molWeight_;
@@ -130,6 +191,10 @@ inline void specie::operator-=(const specie& st)
         diffnMoles = SMALL;
     }
 
+    nCharges_ =
+        nMoles_/diffnMoles*nCharges_
+      - st.nMoles_/diffnMoles*st.nCharges_;
+
     molWeight_ =
         nMoles_/diffnMoles*molWeight_
       - st.nMoles_/diffnMoles*st.molWeight_;
@@ -154,7 +219,9 @@ inline specie operator+(const specie& st1, const specie& st2)
     (
         sumNmoles,
         st1.nMoles_/sumNmoles*st1.molWeight_
-      + st2.nMoles_/sumNmoles*st2.molWeight_
+      + st2.nMoles_/sumNmoles*st2.molWeight_,
+        st1.nMoles_/sumNmoles*st1.nCharges_
+      + st2.nMoles_/sumNmoles*st2.nCharges_
     );
 }
 
@@ -171,7 +238,9 @@ inline specie operator-(const specie& st1, const specie& st2)
     (
         diffNmoles,
         st1.nMoles_/diffNmoles*st1.molWeight_
-      - st2.nMoles_/diffNmoles*st2.molWeight_
+      - st2.nMoles_/diffNmoles*st2.molWeight_,
+        st1.nMoles_/diffNmoles*st1.nCharges_
+      - st2.nMoles_/diffNmoles*st2.nCharges_
     );
 }
 
@@ -181,7 +250,8 @@ inline specie operator*(const scalar s, const specie& st)
     return specie
     (
         s*st.nMoles_,
-        st.molWeight_
+        st.molWeight_,
+        st.nCharges_
     );
 }
 

src/thermophysicalModels/specie/thermo/thermo/thermo.H

@@ -336,6 +336,7 @@ public:
             ) const;
 
 
+
         // I-O
 
             //- Write to Ostream