ENH: Added new reactingParcelFilmFoam solver

- Takes reactingParcelFoam solver and adds surface film capability

applications/solvers/lagrangian/reactingParcelFilmFoam/Make/files

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

applications/solvers/lagrangian/reactingParcelFilmFoam/Make/options

@@ -0,0 +1,38 @@
+DEV_PATH=./../..
+
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I${LIB_SRC}/meshTools/lnInclude \
+    -I$(LIB_SRC)/turbulenceModels/compressible/turbulenceModel \
+    -I$(LIB_SRC)/thermophysicalModels/pdfs/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/solids/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/solidMixture/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/liquids/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/liquidMixture/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \
+    -I$(LIB_SRC)/surfaceFilmModels/lnInclude \
+    -I$(LIB_SRC)/lagrangian/basic/lnInclude \
+    -I$(LIB_SRC)/lagrangian/intermediate/lnInclude \
+    -I$(LIB_SRC)/ODE/lnInclude
+
+EXE_LIBS = \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lcompressibleRASModels \
+    -lcompressibleLESModels \
+    -lspecie \
+    -lbasicThermophysicalModels \
+    -lsolids \
+    -lsolidMixture \
+    -lthermophysicalFunctions \
+    -lreactionThermophysicalModels \
+    -lchemistryModel \
+    -lradiation \
+    -lsurfaceFilmModels \
+    -llagrangianIntermediate \
+    -lODE

applications/solvers/lagrangian/reactingParcelFilmFoam/UEqn.H

@@ -0,0 +1,16 @@
+    fvVectorMatrix UEqn
+    (
+        fvm::ddt(rho, U)
+      + fvm::div(phi, U)
+      + turbulence->divDevRhoReff(U)
+     ==
+        rho.dimensionedInternalField()*g
+      + parcels.SU()
+    );
+
+    UEqn.relax();
+
+    if (momentumPredictor)
+    {
+        solve(UEqn == -fvc::grad(p));
+    }

applications/solvers/lagrangian/reactingParcelFilmFoam/YEqn.H

@@ -0,0 +1,44 @@
+tmp<fv::convectionScheme<scalar> > mvConvection
+(
+    fv::convectionScheme<scalar>::New
+    (
+        mesh,
+        fields,
+        phi,
+        mesh.divScheme("div(phi,Yi_h)")
+    )
+);
+
+
+{
+    label inertIndex = -1;
+    volScalarField Yt = 0.0*Y[0];
+
+    for (label i=0; i<Y.size(); i++)
+    {
+        if (Y[i].name() != inertSpecie)
+        {
+            volScalarField& Yi = Y[i];
+            solve
+            (
+                fvm::ddt(rho, Yi)
+              + mvConvection->fvmDiv(phi, Yi)
+              - fvm::laplacian(turbulence->muEff(), Yi)
+              ==
+                parcels.Srho(i)
+              + kappa*chemistry.RR(i)().dimensionedInternalField(),
+                mesh.solver("Yi")
+            );
+
+            Yi.max(0.0);
+            Yt += Yi;
+        }
+        else
+        {
+            inertIndex = i;
+        }
+    }
+
+    Y[inertIndex] = scalar(1) - Yt;
+    Y[inertIndex].max(0.0);
+}

applications/solvers/lagrangian/reactingParcelFilmFoam/chemistry.H

@@ -0,0 +1,27 @@
+{
+    Info << "Solving chemistry" << endl;
+
+    chemistry.solve
+    (
+        runTime.value() - runTime.deltaTValue(),
+        runTime.deltaTValue()
+    );
+
+    // turbulent time scale
+    if (turbulentReaction)
+    {
+        DimensionedField<scalar, volMesh> tk =
+            Cmix*sqrt(turbulence->muEff()/rho/turbulence->epsilon());
+        DimensionedField<scalar, volMesh> tc =
+            chemistry.tc()().dimensionedInternalField();
+
+        // Chalmers PaSR model
+        kappa = (runTime.deltaT() + tc)/(runTime.deltaT() + tc + tk);
+    }
+    else
+    {
+        kappa = 1.0;
+    }
+
+    chemistrySh = kappa*chemistry.Sh()();
+}

applications/solvers/lagrangian/reactingParcelFilmFoam/createClouds.H

@@ -0,0 +1,9 @@
+Info<< "\nConstructing reacting cloud" << endl;
+thermoReactingCloud parcels
+(
+    "reactingCloud1",
+    rho,
+    U,
+    g,
+    thermo
+);

applications/solvers/lagrangian/reactingParcelFilmFoam/createFields.H

@@ -0,0 +1,122 @@
+    Info<< "Reading thermophysical properties\n" << endl;
+
+    autoPtr<psiChemistryModel> pChemistry
+    (
+        psiChemistryModel::New(mesh)
+    );
+    psiChemistryModel& chemistry = pChemistry();
+
+    hsCombustionThermo& thermo = chemistry.thermo();
+
+    basicMultiComponentMixture& composition = thermo.composition();
+    PtrList<volScalarField>& Y = composition.Y();
+
+    word inertSpecie(thermo.lookup("inertSpecie"));
+
+    volScalarField& p = thermo.p();
+    volScalarField& hs = thermo.hs();
+    const volScalarField& T = thermo.T();
+    const volScalarField& psi = thermo.psi();
+
+    Info<< "Creating field rho\n" << endl;
+    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"
+
+    Info<< "Creating field kappa\n" << endl;
+    DimensionedField<scalar, volMesh> kappa
+    (
+        IOobject
+        (
+            "kappa",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimless, 0.0)
+    );
+
+    Info<< "Creating turbulence model\n" << endl;
+    autoPtr<compressible::turbulenceModel> turbulence
+    (
+        compressible::turbulenceModel::New
+        (
+            rho,
+            U,
+            phi,
+            thermo
+        )
+    );
+
+    Info<< "Creating field DpDt\n" << endl;
+    volScalarField DpDt
+    (
+        "DpDt",
+        fvc::DDt(surfaceScalarField("phiU", phi/fvc::interpolate(rho)), p)
+    );
+
+    multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
+
+    forAll (Y, i)
+    {
+        fields.add(Y[i]);
+    }
+    fields.add(hs);
+
+    IOdictionary additionalControlsDict
+    (
+        IOobject
+        (
+            "additionalControls",
+            runTime.constant(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::NO_WRITE
+        )
+    );
+
+    Switch solvePrimaryRegion
+    (
+        additionalControlsDict.lookup("solvePrimaryRegion")
+    );
+
+    DimensionedField<scalar, volMesh> chemistrySh
+    (
+        IOobject
+        (
+            "chemistry::Sh",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("chemistrySh", dimEnergy/dimTime/dimVolume, 0.0)
+    );

applications/solvers/lagrangian/reactingParcelFilmFoam/createSurfaceFilmModel.H

@@ -0,0 +1,6 @@
+Info<< "\nConstructing surface film model" << endl;
+
+autoPtr<surfaceFilmModels::surfaceFilmModel>
+    tsurfaceFilm(surfaceFilmModels::surfaceFilmModel::New(mesh, g));
+surfaceFilmModels::surfaceFilmModel& surfaceFilm = tsurfaceFilm();
+

applications/solvers/lagrangian/reactingParcelFilmFoam/hsEqn.H

@@ -0,0 +1,21 @@
+{
+    fvScalarMatrix hsEqn
+    (
+        fvm::ddt(rho, hs)
+      + mvConvection->fvmDiv(phi, hs)
+      - fvm::laplacian(turbulence->alphaEff(), hs)
+     ==
+        DpDt
+     +  parcels.Sh()
+     +  radiation->Shs(thermo)
+     +  chemistrySh
+    );
+
+    hsEqn.relax();
+
+    hsEqn.solve();
+
+    thermo.correct();
+
+    radiation->correct();
+}

applications/solvers/lagrangian/reactingParcelFilmFoam/pEqn.H

@@ -0,0 +1,72 @@
+rho = thermo.rho();
+
+volScalarField rUA = 1.0/UEqn.A();
+U = rUA*UEqn.H();
+
+if (transonic)
+{
+    surfaceScalarField phid
+    (
+        "phid",
+        fvc::interpolate(psi)
+       *(
+            (fvc::interpolate(U) & mesh.Sf())
+          + fvc::ddtPhiCorr(rUA, rho, U, phi)
+        )
+    );
+
+    for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
+    {
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(psi, p)
+          + fvm::div(phid, p)
+          - fvm::laplacian(rho*rUA, p)
+         ==
+            parcels.Srho()
+        );
+
+        pEqn.solve();
+
+        if (nonOrth == nNonOrthCorr)
+        {
+            phi == pEqn.flux();
+        }
+    }
+}
+else
+{
+    phi =
+        fvc::interpolate(rho)
+       *(
+            (fvc::interpolate(U) & mesh.Sf())
+          + fvc::ddtPhiCorr(rUA, rho, U, phi)
+        );
+
+    for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
+    {
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(psi, p)
+          + fvc::div(phi)
+          - fvm::laplacian(rho*rUA, p)
+         ==
+            parcels.Srho()
+        );
+
+        pEqn.solve();
+
+        if (nonOrth == nNonOrthCorr)
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrs.H"
+
+U -= rUA*fvc::grad(p);
+U.correctBoundaryConditions();
+
+DpDt = fvc::DDt(surfaceScalarField("phiU", phi/fvc::interpolate(rho)), p);

applications/solvers/lagrangian/reactingParcelFilmFoam/reactingParcelFilmFoam.C

@@ -0,0 +1,127 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2009-2010 OpenCFD Ltd.
+     \\/     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
+    reactingParcelFilmFoam
+
+Description
+    Transient PISO solver for compressible, laminar or turbulent flow with
+    reacting Lagrangian parcels, and surface film modelling.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "hCombustionThermo.H"
+#include "turbulenceModel.H"
+#include "BasicReactingCloud.H"
+#include "surfaceFilmModel.H"
+#include "psiChemistryModel.H"
+#include "chemistrySolver.H"
+#include "radiationModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "setRootCase.H"
+
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "readChemistryProperties.H"
+    #include "readGravitationalAcceleration.H"
+    #include "createFields.H"
+    #include "createClouds.H"
+    #include "createRadiationModel.H"
+    #include "createSurfaceFilmModel.H"
+    #include "initContinuityErrs.H"
+    #include "readTimeControls.H"
+    #include "compressibleCourantNo.H"
+    #include "setInitialDeltaT.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.run())
+    {
+        #include "readTimeControls.H"
+        #include "readPISOControls.H"
+        #include "compressibleCourantNo.H"
+        #include "setDeltaT.H"
+
+        runTime++;
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        parcels.evolve();
+
+        surfaceFilm.evolve();
+
+        if (solvePrimaryRegion)
+        {
+            #include "chemistry.H"
+            #include "rhoEqn.H"
+
+            // --- PIMPLE loop
+            for (int ocorr=1; ocorr<=nOuterCorr; ocorr++)
+            {
+                #include "UEqn.H"
+                #include "YEqn.H"
+
+                // --- PISO loop
+                for (int corr=1; corr<=nCorr; corr++)
+                {
+                    #include "hsEqn.H"
+                    #include "pEqn.H"
+                }
+
+                Info<< "T gas min/max   = " << min(T).value() << ", "
+                    << max(T).value() << endl;
+            }
+
+            turbulence->correct();
+
+            rho = thermo.rho();
+
+            if (runTime.write())
+            {
+                chemistry.dQ()().write();
+            }
+        }
+        else
+        {
+            runTime.write();
+        }
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+    }
+
+    Info<< "End" << endl;
+
+    return(0);
+}
+
+
+// ************************************************************************* //

applications/solvers/lagrangian/reactingParcelFilmFoam/readChemistryProperties.H

@@ -0,0 +1,23 @@
+Info<< "Reading chemistry properties\n" << endl;
+
+IOdictionary chemistryProperties
+(
+    IOobject
+    (
+        "chemistryProperties",
+        runTime.constant(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::NO_WRITE,
+        false
+    )
+);
+
+Switch turbulentReaction(chemistryProperties.lookup("turbulentReaction"));
+
+dimensionedScalar Cmix("Cmix", dimless, 1.0);
+
+if (turbulentReaction)
+{
+    chemistryProperties.lookup("Cmix") >> Cmix;
+}

applications/solvers/lagrangian/reactingParcelFilmFoam/rhoEqn.H

@@ -0,0 +1,43 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+     \\/     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 2 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, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Global
+    rhoEqn
+
+Description
+    Solve the continuity for density.
+
+\*---------------------------------------------------------------------------*/
+
+{
+    solve
+    (
+        fvm::ddt(rho)
+      + fvc::div(phi)
+      ==
+        parcels.Srho()
+    );
+}
+
+// ************************************************************************* //