initial commit of reactingParcelFoam

applications/solvers/Lagrangian/reactingParcelFoam/Make/files

@@ -0,0 +1,3 @@
+reactingParcelFoam.C
+
+EXE = $(FOAM_USER_APPBIN)/reactingParcelFoam

applications/solvers/Lagrangian/reactingParcelFoam/Make/options

@@ -0,0 +1,40 @@
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I${LIB_SRC}/meshTools/lnInclude \
+    -I$(LIB_SRC)/turbulenceModels/compressible/turbulenceModel \
+    -I$(LIB_SRC)/lagrangian/basic/lnInclude \
+    -I$(LIB_SRC)/lagrangian/intermediate/lnInclude \
+    -I$(LIB_SRC)/lagrangian/coalCombustion/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/pdfs/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/liquids/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/liquidMixture/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/solids/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/solidMixture/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/combustion/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \
+    -I$(LIB_SRC)/ODE/lnInclude
+
+EXE_LIBS = \
+    -L$(FOAM_USER_LIBBIN) \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lcompressibleRASModels \
+    -lcompressibleLESModels \
+    -llagrangian \
+    -llagrangianIntermediate \
+    -lcoalCombustion\
+    -lspecie \
+    -lbasicThermophysicalModels \
+    -lliquids \
+    -lliquidMixture \
+    -lsolids \
+    -lsolidMixture \
+    -lthermophysicalFunctions \
+    -lcombustionThermophysicalModels \
+    -lchemistryModel \
+    -lradiation \
+    -lODE

applications/solvers/Lagrangian/reactingParcelFoam/UEqn.H

@@ -0,0 +1,16 @@
+    fvVectorMatrix UEqn
+    (
+        fvm::ddt(rho, U)
+      + fvm::div(phi, U)
+      + turbulence->divDevRhoReff(U)
+     ==
+        rho.dimensionedInternalField()*g
+      + reactingParcels.SU1()
+    );
+
+    UEqn.relax();
+
+    if (momentumPredictor)
+    {
+        solve(UEqn == -fvc::grad(p));
+    }

applications/solvers/Lagrangian/reactingParcelFoam/YEqn.H

@@ -0,0 +1,45 @@
+
+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)
+              ==
+                reactingParcels.Srho1(i)
+              + kappa*chemistry.RR(i)().dimensionedInternalField()
+            );
+
+            Yi.max(0.0);
+            Yt += Yi;
+        }
+        else
+        {
+            inertIndex = i;
+        }
+    }
+
+    Y[inertIndex] = scalar(1) - Yt;
+    Y[inertIndex].max(0.0);
+
+}

applications/solvers/Lagrangian/reactingParcelFoam/additionalOutput.H

@@ -0,0 +1,48 @@
+{
+    tmp<volScalarField> tdQ
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "dQ",
+                runTime.timeName(),
+                mesh,
+                IOobject::NO_READ,
+                IOobject::AUTO_WRITE
+            ),
+            mesh,
+            dimensionedScalar
+            (
+                "zero",
+                dimensionSet(1, -3, -1, 0, 0, 0, 0),
+                0.0
+            )
+        )
+    );
+
+    scalarField& dQ = tdQ();
+
+    scalarField cp(dQ.size(), 0.0);
+
+    forAll(Y, i)
+    {
+        volScalarField RRi = chemistry.RR(i);
+
+        forAll(h, celli)
+        {
+            scalar Ti = T[celli];
+            cp[celli] += Y[i][celli]*chemistry.specieThermo()[i].Cp(Ti);
+            scalar hi = chemistry.specieThermo()[i].h(Ti);
+            scalar RR = RRi[celli];
+            dQ[celli] -= hi*RR;
+        }
+    }
+
+    forAll(dQ, celli)
+    {
+        dQ[celli] /= cp[celli];
+    }
+
+    tdQ().write();
+}

applications/solvers/Lagrangian/reactingParcelFoam/chemistry.H

@@ -0,0 +1,25 @@
+{
+    Info << "Solving chemistry" << endl;
+
+    chemistry.solve
+    (
+        runTime.value() - runTime.deltaT().value(),
+        runTime.deltaT().value()
+    );
+
+    // 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;
+    }
+}

applications/solvers/Lagrangian/reactingParcelFoam/createClouds.H

@@ -0,0 +1,42 @@
+Info<< "\nConstructing interpolation" << endl;
+
+Info << "\nConstructing gas properties" << endl;
+/*
+PtrList<specieConstProperties> gasProperties(Y.size());
+forAll(gasProperties, i)
+{
+    gasProperties.set
+    (
+        i,
+        new specieConstProperties
+        (
+            dynamic_cast<const multiComponentMixture<constTransport<
+                specieThermo<hConstThermo<perfectGas> > > >&>
+                (thermo()).speciesData()[i]
+        )
+    );
+}
+*/
+PtrList<specieReactingProperties> gasProperties(Y.size());
+forAll(gasProperties, i)
+{
+    gasProperties.set
+    (
+        i,
+        new specieReactingProperties
+        (
+            dynamic_cast<const reactingMixture&>(thermo()).speciesData()[i]
+        )
+    );
+}
+
+Info<< "\nConstructing reacting cloud" << endl;
+basicReactingCloud reactingParcels
+(
+    "reactingCloud1",
+    rho,
+    U,
+    g,
+    thermo(),
+    gasProperties
+);

applications/solvers/Lagrangian/reactingParcelFoam/createFields.H

@@ -0,0 +1,141 @@
+    Info<< "Reading thermophysical properties\n" << endl;
+
+    autoPtr<hCombustionThermo> thermo
+    (
+        hCombustionThermo::New(mesh)
+    );
+
+    combustionMixture& composition = thermo->composition();
+    PtrList<volScalarField>& Y = composition.Y();
+
+    word inertSpecie(thermo->lookup("inertSpecie"));
+
+    volScalarField& p = thermo->p();
+    volScalarField& h = thermo->h();
+    const volScalarField& T = thermo->T();
+    const volScalarField& psi = thermo->psi();
+
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        thermo->rho()
+    );
+
+// lagrangian coal density field
+/*    volScalarField rholc
+    (
+        IOobject
+        (
+            "rholc",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1, -3, 0, 0, 0, 0, 0), 0.0)
+    );
+
+// lagrangian limestone density field
+    volScalarField rhols
+    (
+        IOobject
+        (
+            "rhols",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1, -3, 0, 0, 0, 0, 0), 0.0)
+    );
+
+// lagrangian total density field
+    volScalarField rhol
+    (
+        IOobject
+        (
+            "rhol",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1, -3, 0, 0, 0, 0, 0), 0.0)
+    );*/
+
+    Info<< "\nReading field U\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+#   include "compressibleCreatePhi.H"
+
+    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 =
+        fvc::DDt(surfaceScalarField("phiU", phi/fvc::interpolate(rho)), p);
+
+    Info << "Constructing chemical mechanism" << endl;
+    chemistryModel chemistry
+    (
+        thermo(),
+        rho
+    );
+
+    multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
+
+    forAll (Y, i)
+    {
+        fields.add(Y[i]);
+    }
+    fields.add(h);
+
+    Info<< "Creating radiation model\n" << endl;
+    autoPtr<radiation::radiationModel> radiation
+    (
+        radiation::radiationModel::New(T)
+    );

applications/solvers/Lagrangian/reactingParcelFoam/hEqn.H

@@ -0,0 +1,20 @@
+{
+    fvScalarMatrix hEqn
+    (
+        fvm::ddt(rho, h)
+      + fvm::div(phi, h)
+      - fvm::laplacian(turbulence->alphaEff(), h)
+     ==
+        DpDt
+     +  reactingParcels.Sh1()
+     +  radiation->Sh(thermo())
+    );
+
+    hEqn.relax();
+
+    hEqn.solve();
+
+    thermo->correct();
+
+    radiation->correct();
+}

applications/solvers/Lagrangian/reactingParcelFoam/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(thermo->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)
+         ==
+            reactingParcels.Srho1()
+        );
+
+        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)
+         ==
+            reactingParcels.Srho1()
+        );
+
+        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/reactingParcelFoam/reactingParcelFoam.C

@@ -0,0 +1,120 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 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
+
+Application
+
+Description
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "hCombustionThermo.H"
+#include "turbulenceModel.H"
+#include "basicThermoCloud.H"
+#include "basicReactingCloud.H"
+#include "chemistryModel.H"
+#include "chemistrySolver.H"
+#include "ReactingCloudThermoTypes.H"
+#include "radiationModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+#   include "setRootCase.H"
+
+#   include "createTime.H"
+#   include "createMesh.H"
+#   include "readChemistryProperties.H"
+#   include "readEnvironmentalProperties.H"
+#   include "createFields.H"
+#   include "createClouds.H"
+#   include "readPISOControls.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;
+
+        Info << "Evolving reacting cloud" << endl;
+
+        reactingParcels.evolve();
+
+        reactingParcels.info();
+
+#       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 "hEqn.H"
+#               include "pEqn.H"
+            }
+
+            Info<< "T gas min/max   = " << min(T).value() << ", "
+                << max(T).value() << endl;
+        }
+
+        turbulence->correct();
+
+        rho = thermo->rho();
+
+        if (runTime.write())
+        {
+#           include "additionalOutput.H"
+        }
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+    }
+
+    Info<< "End\n" << endl;
+
+    return(0);
+}
+
+
+// ************************************************************************* //

applications/solvers/Lagrangian/reactingParcelFoam/readChemistryProperties.H

@@ -0,0 +1,22 @@
+Info<< "Reading chemistry properties\n" << endl;
+
+IOdictionary chemistryProperties
+(
+    IOobject
+    (
+        "chemistryProperties",
+        runTime.constant(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::NO_WRITE
+    )
+);
+
+Switch turbulentReaction(chemistryProperties.lookup("turbulentReaction"));
+
+dimensionedScalar Cmix("Cmix", dimless, 1.0);
+
+if (turbulentReaction)
+{
+    chemistryProperties.lookup("Cmix") >> Cmix;
+}

applications/solvers/Lagrangian/reactingParcelFoam/rhoEqn.H

@@ -0,0 +1,43 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 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)
+      ==
+        reactingParcels.Srho1()
+    );
+}
+
+// ************************************************************************* //