Merge branch 'EDM' into 'trunk'

EDM,SLFM,ThermoMPPICFoam

See merge request combustion-postech/OpenFOAM-4.x!17

.gitignore

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

applications/solvers/lagrangian/ThermoMPPICFoam/EEqn.H

@@ -0,0 +1,40 @@
+{
+    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

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

applications/solvers/lagrangian/ThermoMPPICFoam/Make/options

@@ -0,0 +1,56 @@
+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

@@ -0,0 +1,147 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -0,0 +1,43 @@
+    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

@@ -0,0 +1,53 @@
+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

@@ -0,0 +1,26 @@
+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

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

applications/solvers/lagrangian/ThermoMPPICFoam/createFields.H

@@ -0,0 +1,158 @@
+#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

@@ -0,0 +1,81 @@
+{
+    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

@@ -0,0 +1,52 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -0,0 +1,134 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -0,0 +1,32 @@
+{
+    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

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

applications/solvers/lagrangian/simpleCoalcombustionFoam/Make/options

@@ -0,0 +1,57 @@
+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

@@ -0,0 +1,21 @@
+    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

@@ -0,0 +1,53 @@
+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

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

applications/solvers/lagrangian/simpleCoalcombustionFoam/createFieldRefs.H

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

applications/solvers/lagrangian/simpleCoalcombustionFoam/createFields.H

@@ -0,0 +1,123 @@
+#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

@@ -0,0 +1,57 @@
+{
+    // 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

@@ -0,0 +1,93 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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/combustionModels/EDM/EDM.C

@@ -0,0 +1,227 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "EDM.H"
+#include "fvmSup.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+
+template<class Type>
+Foam::combustionModels::EDM<Type>::EDM
+(
+    const word& modelType,
+    const fvMesh& mesh,
+    const word& phaseName
+)
+:
+    Type(modelType, mesh, phaseName),
+    finiteRate_ (this->coeffs().lookupOrDefault("finiteRate", false)),
+    A_ (this->coeffs().lookupOrDefault("A", 4.0)),
+    B_ (this->coeffs().lookupOrDefault("B", 0.5))
+{
+    if (finiteRate_)
+    {
+        Info<< "    using Finite-rate/Eddy Dissipation Model" << endl;
+    }
+    else
+    {
+        Info<< "    using Eddy Dissipation Model" << endl;
+    }
+    Info<< "    A = " << A_ << endl;
+    Info<< "    B = " << B_ << endl;
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+template<class Type>
+Foam::combustionModels::EDM<Type>::~EDM()
+{}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+template<class Type>
+Foam::tmp<Foam::volScalarField>
+Foam::combustionModels::EDM<Type>::tc() const
+{
+    return this->chemistryPtr_->tc();
+}
+
+
+template<class Type>
+void Foam::combustionModels::EDM<Type>::correct()
+{
+    if (this->active())
+    {
+        tmp<volScalarField> tk(this->turbulence().k());
+        const volScalarField& k = tk();
+
+        tmp<volScalarField> tepsilon(this->turbulence().epsilon());
+        const volScalarField& epsilon = tepsilon();
+
+        this->chemistryPtr_->edm(epsilon/k, A_, B_);
+
+        if (finiteRate_)
+        {
+            // Copy edm rate stored in chemistryPtr_->RR(i)
+            PtrList<DimensionedField<scalar, volMesh>> edmRates
+            (
+                this->thermo().composition().Y().size()
+            );
+            forAll(edmRates, i)
+            {
+                edmRates.set
+                (
+                    i,
+                    new DimensionedField<scalar, volMesh>
+                    (
+                        this->chemistryPtr_->RR(i)
+                    )
+                );
+            }
+
+            this->chemistryPtr_->calculate();
+
+            forAll(edmRates, i)
+            {
+                DimensionedField<scalar, volMesh> &finiteRatei
+                (
+                    this->chemistryPtr_->RR(i)
+                );
+
+                forAll(finiteRatei, celli)
+                {
+                    finiteRatei[celli] = min(finiteRatei[celli], edmRates[i][celli]);
+                    finiteRatei[celli] =
+                        finiteRatei[celli]*edmRates[i][celli]
+                        / (finiteRatei[celli] + edmRates[i][celli] + SMALL);
+                }
+
+            }
+        }
+    }
+}
+
+
+template<class Type>
+Foam::tmp<Foam::fvScalarMatrix>
+Foam::combustionModels::EDM<Type>::R(volScalarField& Y) const
+{
+    tmp<fvScalarMatrix> tSu(new fvScalarMatrix(Y, dimMass/dimTime));
+
+    fvScalarMatrix& Su = tSu.ref();
+
+    if (this->active())
+    {
+        const label specieI =
+            this->thermo().composition().species()[Y.member()];
+
+        Su += this->chemistryPtr_->RR(specieI);
+    }
+
+    return tSu;
+}
+
+
+template<class Type>
+Foam::tmp<Foam::volScalarField>
+Foam::combustionModels::EDM<Type>::dQ() const
+{
+    tmp<volScalarField> tdQ
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                IOobject::groupName(typeName + ":dQ", this->phaseName_),
+                this->mesh().time().timeName(),
+                this->mesh(),
+                IOobject::NO_READ,
+                IOobject::NO_WRITE,
+                false
+            ),
+            this->mesh(),
+            dimensionedScalar("dQ", dimEnergy/dimTime, 0.0)
+        )
+    );
+
+    if (this->active())
+    {
+        tdQ.ref() = this->chemistryPtr_->dQ();
+    }
+
+    return tdQ;
+}
+
+
+template<class Type>
+Foam::tmp<Foam::volScalarField>
+Foam::combustionModels::EDM<Type>::Sh() const
+{
+    tmp<volScalarField> tSh
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                IOobject::groupName(typeName + ":Sh", this->phaseName_),
+                this->mesh().time().timeName(),
+                this->mesh(),
+                IOobject::NO_READ,
+                IOobject::NO_WRITE,
+                false
+            ),
+            this->mesh(),
+            dimensionedScalar("zero", dimEnergy/dimTime/dimVolume, 0.0)
+        )
+    );
+
+    if (this->active())
+    {
+        tSh.ref() = this->chemistryPtr_->Sh();
+    }
+
+    return tSh;
+}
+
+
+template<class Type>
+bool Foam::combustionModels::EDM<Type>::read()
+{
+    if (Type::read())
+    {
+        this->coeffs().lookup("finiteRate") >> finiteRate_;
+        return true;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

src/combustionModels/EDM/EDM.H

@@ -0,0 +1,147 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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::combustionModels::EDM
+
+Description
+    Eddy dissipation model with finite-rate chemistry.
+                                                                    28.Feb.2017
+                                                        Combustion Lab. POSTECH
+                                                                      Karam Han
+                                              (Version upgraded by Jinwoo Park)
+
+SourceFiles
+    EDM.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef EDM_H
+#define EDM_H
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace combustionModels
+{
+
+/*---------------------------------------------------------------------------*\
+                            Class EDM Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class Type>
+class EDM
+:
+    public Type
+{
+    // Private data
+
+        //- finite-rate/EDM using Arrhenius formula
+        bool finiteRate_;
+
+        //- EDM Parameter A
+        scalar A_;
+
+        //- EDM Parameter B
+        scalar B_;
+
+protected:
+
+    // Protected Member Functions
+
+        //- Return the chemical time scale
+        tmp<volScalarField> tc() const;
+
+private:
+
+    // Private Member Functions
+
+        //- Disallow copy construct
+        EDM(const EDM&);
+
+        //- Disallow default bitwise assignment
+        void operator=(const EDM&);
+
+
+public:
+
+    //- Runtime type information
+    TypeName("EDM");
+
+
+    // Constructors
+
+        //- Construct from components
+        EDM
+        (
+            const word& modelType,
+            const fvMesh& mesh,
+            const word& phaseName
+        );
+
+
+    //- Destructor
+    virtual ~EDM();
+
+
+    // Member Functions
+
+        // Evolution
+
+            //- Correct combustion rate
+            virtual void correct();
+
+            //- Fuel consumption rate matrix.
+            virtual tmp<fvScalarMatrix> R(volScalarField& Y) const;
+
+            //- Heat release rate calculated from fuel consumption rate matrix
+            virtual tmp<volScalarField> dQ() const;
+
+            //-  Return source for enthalpy equation [kg/m/s3]
+            virtual tmp<volScalarField> Sh() const;
+
+
+    // IO
+
+            //- Update properties from given dictionary
+            virtual bool read();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace combustionModels
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#ifdef NoRepository
+    #include "EDM.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/combustionModels/EDM/EDMs.C

@@ -0,0 +1,38 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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 "makeCombustionTypes.H"
+
+#include "psiChemistryCombustion.H"
+#include "rhoChemistryCombustion.H"
+#include "EDM.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+makeCombustionTypes(EDM, psiChemistryCombustion, psiCombustionModel);
+makeCombustionTypes(EDM, rhoChemistryCombustion, rhoCombustionModel);
+
+
+// ************************************************************************* //

src/combustionModels/Make/files

@@ -13,6 +13,8 @@ rhoCombustionModel/rhoChemistryCombustion/rhoChemistryCombustion.C
 diffusion/diffusions.C
 infinitelyFastChemistry/infinitelyFastChemistrys.C
 
+EDM/EDMs.C
+
 PaSR/PaSRs.C
 
 laminar/laminars.C

src/lagrangian/coalCombustion/include/makeCoalParcelSurfaceReactionModels.H

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

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

@@ -0,0 +1,178 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -0,0 +1,176 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -50,6 +50,12 @@ $(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

@@ -213,6 +213,88 @@ 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

@@ -180,6 +180,17 @@ 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

@@ -0,0 +1,66 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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/Templates/ReactingParcel/ReactingParcel.C

@@ -96,7 +96,8 @@ void Foam::ReactingParcel<ParcelType>::calcPhaseChange
         pc_,
         this->Tc_,
         X,
-        dMassPC
+        dMassPC,
+        this->rhoc_
     );
 
     // Limit phase change mass by availability of each specie

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

@@ -0,0 +1,63 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -0,0 +1,38 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -0,0 +1,67 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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/lagrangian/intermediate/parcels/include/makeReactingParcelPhaseChangeModels.H

@@ -30,6 +30,7 @@ License
 
 #include "NoPhaseChange.H"
 #include "LiquidEvaporation.H"
+#include "LiquidEvaporationConvDiff.H"
 #include "LiquidEvaporationBoil.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -39,6 +40,7 @@ License
     makePhaseChangeModel(CloudType);                                           \
     makePhaseChangeModelType(NoPhaseChange, CloudType);                        \
     makePhaseChangeModelType(LiquidEvaporation, CloudType);                    \
+    makePhaseChangeModelType(LiquidEvaporationConvDiff, CloudType);            \
     makePhaseChangeModelType(LiquidEvaporationBoil, CloudType);
 
 

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporation/LiquidEvaporation.C

@@ -142,7 +142,8 @@ void Foam::LiquidEvaporation<CloudType>::calculate
     const scalar pc,
     const scalar Tc,
     const scalarField& X,
-    scalarField& dMassPC
+    scalarField& dMassPC,
+    const scalar rhoc
 ) const
 {
     // immediately evaporate mass that has reached critical condition
@@ -196,8 +197,8 @@ void Foam::LiquidEvaporation<CloudType>::calculate
         // vapour concentration at surface [kmol/m3] at film temperature
         const scalar Cs = pSat/(RR*Ts);
 
-        // vapour concentration in bulk gas [kmol/m3] at film temperature
+        // vapour concentration in bulk gas [kmol/m3] at bulk gas temperature
-        const scalar Cinf = Xc[gid]*pc/(RR*Ts);
+        const scalar Cinf = Xc[gid]*pc/(RR*Tc);
 
         // molar flux of vapour [kmol/m2/s]
         const scalar Ni = max(kc*(Cs - Cinf), 0.0);

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporation/LiquidEvaporation.H

@@ -119,7 +119,8 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC
+            scalarField& dMassPC,
+            const scalar rhoc
         ) const;
 
         //- Return the enthalpy per unit mass

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporationBoil/LiquidEvaporationBoil.C

@@ -142,7 +142,8 @@ void Foam::LiquidEvaporationBoil<CloudType>::calculate
     const scalar pc,
     const scalar Tc,
     const scalarField& X,
-    scalarField& dMassPC
+    scalarField& dMassPC,
+    const scalar rhoc
 ) const
 {
     // immediately evaporate mass that has reached critical condition

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporationBoil/LiquidEvaporationBoil.H

@@ -129,7 +129,8 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC
+            scalarField& dMassPC,
+            const scalar rhoc
         ) const;
 
         //- Return the enthalpy per unit mass

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporationConvDiff/LiquidEvaporationConvDiff.C

@@ -0,0 +1,287 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "LiquidEvaporationConvDiff.H"
+#include "specie.H"
+#include "mathematicalConstants.H"
+
+using namespace Foam::constant::mathematical;
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+template<class CloudType>
+Foam::tmp<Foam::scalarField> Foam::LiquidEvaporationConvDiff<CloudType>::calcXc
+(
+    const label celli
+) const
+{
+    scalarField Xc(this->owner().thermo().carrier().Y().size());
+
+    forAll(Xc, i)
+    {
+        Xc[i] =
+            this->owner().thermo().carrier().Y()[i][celli]
+           /this->owner().thermo().carrier().W(i);
+    }
+
+    return Xc/sum(Xc);
+}
+
+
+template<class CloudType>
+Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::Sh
+(
+    const scalar Re,
+    const scalar Sc
+) const
+{
+    return 2.0 + 0.6*Foam::sqrt(Re)*cbrt(Sc);
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+template<class CloudType>
+Foam::LiquidEvaporationConvDiff<CloudType>::LiquidEvaporationConvDiff
+(
+    const dictionary& dict,
+    CloudType& owner
+)
+:
+    PhaseChangeModel<CloudType>(dict, owner, typeName),
+    liquids_(owner.thermo().liquids()),
+    activeLiquids_(this->coeffDict().lookup("activeLiquids")),
+    liqToCarrierMap_(activeLiquids_.size(), -1),
+    liqToLiqMap_(activeLiquids_.size(), -1)
+{
+    if (activeLiquids_.size() == 0)
+    {
+        WarningInFunction
+            << "Evaporation model selected, but no active liquids defined"
+            << nl << endl;
+    }
+    else
+    {
+        Info<< "Participating liquid species:" << endl;
+
+        // Determine mapping between liquid and carrier phase species
+        forAll(activeLiquids_, i)
+        {
+            Info<< "    " << activeLiquids_[i] << endl;
+            liqToCarrierMap_[i] =
+                owner.composition().carrierId(activeLiquids_[i]);
+        }
+
+        // Determine mapping between model active liquids and global liquids
+        const label idLiquid = owner.composition().idLiquid();
+        forAll(activeLiquids_, i)
+        {
+            liqToLiqMap_[i] =
+                owner.composition().localId(idLiquid, activeLiquids_[i]);
+        }
+    }
+}
+
+
+template<class CloudType>
+Foam::LiquidEvaporationConvDiff<CloudType>::LiquidEvaporationConvDiff
+(
+    const LiquidEvaporationConvDiff<CloudType>& pcm
+)
+:
+    PhaseChangeModel<CloudType>(pcm),
+    liquids_(pcm.owner().thermo().liquids()),
+    activeLiquids_(pcm.activeLiquids_),
+    liqToCarrierMap_(pcm.liqToCarrierMap_),
+    liqToLiqMap_(pcm.liqToLiqMap_)
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+template<class CloudType>
+Foam::LiquidEvaporationConvDiff<CloudType>::~LiquidEvaporationConvDiff()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+template<class CloudType>
+void Foam::LiquidEvaporationConvDiff<CloudType>::calculate
+(
+    const scalar dt,
+    const label celli,
+    const scalar Re,
+    const scalar Pr,
+    const scalar d,
+    const scalar nu,
+    const scalar T,
+    const scalar Ts,
+    const scalar pc,
+    const scalar Tc,
+    const scalarField& X,
+    scalarField& dMassPC, 
+    const scalar rhoc     //POSECH
+) const
+{
+    // immediately evaporate mass that has reached critical condition
+    if ((liquids_.Tc(X) - T) < SMALL)
+    {
+        if (debug)
+        {
+            WarningInFunction
+                << "Parcel reached critical conditions: "
+                << "evaporating all avaliable mass" << endl;
+        }
+
+        forAll(activeLiquids_, i)
+        {
+            const label lid = liqToLiqMap_[i];
+            dMassPC[lid] = GREAT;
+        }
+
+        return;
+    }
+
+    // construct carrier phase species volume fractions for cell, celli
+    const scalarField Xc(calcXc(celli));
+
+    // calculate mass transfer of each specie in liquid
+    forAll(activeLiquids_, i)
+    {
+        const label gid = liqToCarrierMap_[i];
+        const label lid = liqToLiqMap_[i];
+
+        // vapour diffusivity [m2/s]
+        const scalar Dab = liquids_.properties()[lid].D(pc, Ts);
+
+        // saturation pressure for species i [pa]
+        // - carrier phase pressure assumed equal to the liquid vapour pressure
+        //   close to the surface
+        // NOTE: if pSat > pc then particle is superheated
+        // calculated evaporation rate will be greater than that of a particle
+        // at boiling point, but this is not a boiling model
+        const scalar pSat = liquids_.properties()[lid].pv(pc, T);
+
+        // Schmidt number
+        const scalar Sc = nu/(Dab + ROOTVSMALL);
+
+        // Sherwood number
+        const scalar Sh = this->Sh(Re, Sc);
+
+        // mass transfer coefficient [m/s]
+        const scalar kc = Sh*Dab/(d + ROOTVSMALL);
+
+        // vapour concentration at surface [kmol/m3] at film temperature
+        const scalar Cs = pSat/(RR*Ts);
+
+        // vapour concentration in bulk gas [kmol/m3] at bulk gas temperature
+        const scalar Cinf = Xc[gid]*pc/(RR*Tc);
+
+        // molar flux of vapour [kmol/m2/s]
+        const scalar Ni = max(kc*(Cs - Cinf), 0.0);
+
+        // droplet surface pressure assumed to surface vapour pressure
+        const scalar ps = liquids_.pv(pc, Ts, X);
+
+        // vapour density at droplet surface [kg/m3]
+        const scalar rhos = ps*liquids_.W(X)/(RR*Ts);
+
+        // vapour mass fraction at surface
+        const scalar Ys = min((Cs*liquids_.W(X)/rhos),0.9);
+
+        // vapour mass fraction in bulk gas
+        const scalar Yinf = Cinf*liquids_.W(X)/rhos;
+
+        // Spalding mass number
+        const scalar Bm = max(((Ys - Yinf)/(1.0 - Ys)),0.0);
+
+        // mass transfer [kg]
+        dMassPC[lid] += kc*pi*sqr(d)*rhoc*log(1+Bm)*dt;
+
+    }
+}
+
+
+template<class CloudType>
+Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::dh
+(
+    const label idc,
+    const label idl,
+    const scalar p,
+    const scalar T
+) const
+{
+    scalar dh = 0;
+
+    typedef PhaseChangeModel<CloudType> parent;
+    switch (parent::enthalpyTransfer_)
+    {
+        case (parent::etLatentHeat):
+        {
+            dh = liquids_.properties()[idl].hl(p, T);
+            break;
+        }
+        case (parent::etEnthalpyDifference):
+        {
+            scalar hc = this->owner().composition().carrier().Ha(idc, p, T);
+            scalar hp = liquids_.properties()[idl].h(p, T);
+
+            dh = hc - hp;
+            break;
+        }
+        default:
+        {
+            FatalErrorInFunction
+                << "Unknown enthalpyTransfer type" << abort(FatalError);
+        }
+    }
+
+    return dh;
+}
+
+
+template<class CloudType>
+Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::Tvap
+(
+    const scalarField& X
+) const
+{
+    return liquids_.Tpt(X);
+}
+
+
+template<class CloudType>
+Foam::scalar Foam::LiquidEvaporationConvDiff<CloudType>::TMax
+(
+    const scalar p,
+    const scalarField& X
+) const
+{
+    return liquids_.pvInvert(p, X);
+}
+
+
+// ************************************************************************* //

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/LiquidEvaporationConvDiff/LiquidEvaporationConvDiff.H

@@ -0,0 +1,157 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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/>.
+
+Class
+    Foam::LiquidEvaporationConvDiff
+
+Description
+    Liquid evaporation model
+    - uses ideal gas assumption
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef LiquidEvaporationConvDiff_H
+#define LiquidEvaporationConvDiff_H
+
+#include "PhaseChangeModel.H"
+#include "liquidMixtureProperties.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+/*---------------------------------------------------------------------------*\
+                     Class LiquidEvaporationConvDiff Declaration
+\*---------------------------------------------------------------------------*/
+
+template<class CloudType>
+class LiquidEvaporationConvDiff
+:
+    public PhaseChangeModel<CloudType>
+{
+protected:
+
+    // Protected data
+
+        //- Global liquid properties data
+        const liquidMixtureProperties& liquids_;
+
+        //- List of active liquid names
+        List<word> activeLiquids_;
+
+        //- Mapping between liquid and carrier species
+        List<label> liqToCarrierMap_;
+
+        //- Mapping between local and global liquid species
+        List<label> liqToLiqMap_;
+
+
+    // Protected Member Functions
+
+        //- Sherwood number as a function of Reynolds and Schmidt numbers
+        scalar Sh(const scalar Re, const scalar Sc) const;
+
+        //- Calculate the carrier phase component volume fractions at celli
+        tmp<scalarField> calcXc(const label celli) const;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("liquidEvaporationConvDiff");
+
+
+    // Constructors
+
+        //- Construct from dictionary
+        LiquidEvaporationConvDiff(const dictionary& dict, CloudType& cloud);
+
+        //- Construct copy
+        LiquidEvaporationConvDiff(const LiquidEvaporationConvDiff<CloudType>& pcm);
+
+        //- Construct and return a clone
+        virtual autoPtr<PhaseChangeModel<CloudType>> clone() const
+        {
+            return autoPtr<PhaseChangeModel<CloudType>>
+            (
+                new LiquidEvaporationConvDiff<CloudType>(*this)
+            );
+        }
+
+
+    //- Destructor
+    virtual ~LiquidEvaporationConvDiff();
+
+
+    // Member Functions
+
+        //- Update model
+        virtual void calculate
+        (
+            const scalar dt,
+            const label celli,
+            const scalar Re,
+            const scalar Pr,
+            const scalar d,
+            const scalar nu,
+            const scalar T,
+            const scalar Ts,
+            const scalar pc,
+            const scalar Tc,
+            const scalarField& X,
+            scalarField& dMassPC,
+            const scalar rhoc
+        ) const;
+
+        //- Return the enthalpy per unit mass
+        virtual scalar dh
+        (
+            const label idc,
+            const label idl,
+            const scalar p,
+            const scalar T
+        ) const;
+
+        //- Return vapourisation temperature
+        virtual scalar Tvap(const scalarField& X) const;
+
+        //- Return maximum/limiting temperature
+        virtual scalar TMax(const scalar p, const scalarField& X) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#ifdef NoRepository
+    #include "LiquidEvaporationConvDiff.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/NoPhaseChange/NoPhaseChange.C

@@ -78,7 +78,8 @@ void Foam::NoPhaseChange<CloudType>::calculate
     const scalar pc,
     const scalar Tc,
     const scalarField& X,
-    scalarField& dMassPC
+    scalarField& dMassPC,
+    const scalar rhoc
 ) const
 {
     // Nothing to do...

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/NoPhaseChange/NoPhaseChange.H

@@ -94,7 +94,8 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC
+            scalarField& dMassPC,
+            const scalar rhoc
         ) const;
 };
 

src/lagrangian/intermediate/submodels/Reacting/PhaseChangeModel/PhaseChangeModel/PhaseChangeModel.H

@@ -166,7 +166,8 @@ public:
             const scalar pc,
             const scalar Tc,
             const scalarField& X,
-            scalarField& dMassPC
+            scalarField& dMassPC,
+            const scalar rhoc
         ) const = 0;
 
         //- Return the enthalpy per unit mass

src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.C

@@ -86,4 +86,17 @@ Foam::basicChemistryModel::~basicChemistryModel()
 {}
 
 
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void Foam::basicChemistryModel::edm
+(
+    const scalarField& mixing,
+    const scalar A,
+    const scalar B
+)
+{
+    NotImplemented;
+}
+
+
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H

@@ -159,6 +159,14 @@ public:
                 //- Calculates the reaction rates
                 virtual void calculate() = 0;
 
+                //- Calculates the eddy dissipation reaction rates
+                virtual void edm
+                (
+                    const scalarField& mixing,
+                    const scalar A,
+                    const scalar B
+                );
+
                 //- Solve the reaction system for the given time step
                 //  and return the characteristic time
                 virtual scalar solve(const scalar deltaT) = 0;

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.C

@@ -756,6 +756,104 @@ void Foam::chemistryModel<CompType, ThermoType>::calculate()
 }
 
 
+template<class CompType, class ThermoType>
+void Foam::chemistryModel<CompType, ThermoType>::edm
+(
+    const scalarField& mixing,
+    const scalar A,
+    const scalar B
+)
+{
+    if (!this->chemistry_)
+    {
+        return;
+    }
+
+    const volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            this->time().timeName(),
+            this->mesh(),
+            IOobject::NO_READ,
+            IOobject::NO_WRITE,
+            false
+        ),
+        this->thermo().rho()
+    );
+
+    forAll(rho, celli)
+    {
+        const scalar rhoi = rho[celli];
+        const scalar mixingi = mixing[celli];
+
+        scalarField Yi(nSpecie_, 0.0);
+        for (label k=0; k<nSpecie_; k++)
+        {
+            Yi[k] = Y_[k][celli];
+        }
+
+        scalarField om(nSpecie_, 0.0);
+
+        scalar minYR = 1.0;
+        scalar YP = 0.0;
+        forAll(reactions_, m)
+        {
+            const Reaction<ThermoType>& R = reactions_[m];
+
+            scalar num = 0.0;
+            scalar den = 0.0;
+
+            forAll(R.lhs(), s)
+            {
+                const label k = R.lhs()[s].index;
+                const scalar vk = R.lhs()[s].stoichCoeff + SMALL;
+                const scalar Wk = specieThermo_[k].W();
+
+                minYR = min(minYR, Yi[k]/Wk/vk);
+            }
+
+            forAll(R.rhs(), s)
+            {
+                const label k = R.rhs()[s].index;
+                const scalar vk = R.rhs()[s].stoichCoeff;
+                const scalar Wk = specieThermo_[k].W();
+
+                num += Yi[k];
+                den += vk*Wk;
+            }
+            YP = num/den;
+
+            scalar omegam = min (A*rhoi*mixingi*minYR, A*B*rhoi*mixingi*YP);
+
+            forAll(R.lhs(), s)
+            {
+                const label k = R.lhs()[s].index;
+                const scalar vk = R.lhs()[s].stoichCoeff;
+                const scalar Wk = specieThermo_[k].W();
+
+                om[k] -= vk*Wk*omegam;
+            }
+
+            forAll(R.rhs(), s)
+            {
+                const label k = R.rhs()[s].index;
+                const scalar vk = R.rhs()[s].stoichCoeff;
+                const scalar Wk = specieThermo_[k].W();
+
+                om[k] += vk*Wk*omegam;
+            }
+        }
+
+        for (label k=0; k<nSpecie_; k++)
+        {
+            RR_[k][celli] = om[k];
+        }
+    }
+}
+
+
 template<class CompType, class ThermoType>
 template<class DeltaTType>
 Foam::scalar Foam::chemistryModel<CompType, ThermoType>::solve

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H

@@ -191,6 +191,14 @@ public:
         //- Calculates the reaction rates
         virtual void calculate();
 
+        //- Calculates the eddy dissipation reaction rates
+        virtual void edm
+        (
+            const scalarField& mixing,
+            const scalar A,
+            const scalar B
+        );
+
 
         // Chemistry model functions (overriding abstract functions in
         // basicChemistryModel.H)

src/thermophysicalModels/radiation/Make/files

@@ -25,6 +25,7 @@ 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

@@ -0,0 +1,206 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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

@@ -0,0 +1,163 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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
+
+// ************************************************************************* //