Initial commit (reactingFoam)

EEqn.H

@@ -0,0 +1,36 @@
+{
+    volScalarField& he = thermo.he();
+
+    fvScalarMatrix EEqn
+    (
+        fvm::ddt(rho, he) + mvConvection->fvmDiv(phi, he)
+      + fvc::ddt(rho, K) + fvc::div(phi, K)
+      + (
+            he.name() == "e"
+          ? fvc::div
+            (
+                fvc::absolute(phi/fvc::interpolate(rho), U),
+                p,
+                "div(phiv,p)"
+            )
+          : -dpdt
+        )
+      - fvm::laplacian(turbulence->alphaEff(), he)
+     ==
+        reaction->Sh()
+      + fvOptions(rho, he)
+    );
+
+    EEqn.relax();
+
+    fvOptions.constrain(EEqn);
+
+    EEqn.solve();
+
+    fvOptions.correct(he);
+
+    thermo.correct();
+
+    Info<< "min/max(T) = "
+        << min(T).value() << ", " << max(T).value() << endl;
+}

Make/files

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

Make/options

@@ -0,0 +1,28 @@
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
+    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
+    -I$(LIB_SRC)/ODE/lnInclude \
+    -I$(LIB_SRC)/combustionModels/lnInclude
+
+EXE_LIBS = \
+    -lfiniteVolume \
+    -lfvOptions \
+    -lmeshTools \
+    -lsampling \
+    -lturbulenceModels \
+    -lcompressibleTurbulenceModels \
+    -lreactionThermophysicalModels \
+    -lspecie \
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lchemistryModel \
+    -lODE \
+    -lcombustionModels

UEqn.H

@@ -0,0 +1,25 @@
+// Solve the Momentum equation
+
+MRF.correctBoundaryVelocity(U);
+
+tmp<fvVectorMatrix> tUEqn
+(
+    fvm::ddt(rho, U) + fvm::div(phi, U)
+  + MRF.DDt(rho, U)
+  + turbulence->divDevRhoReff(U)
+ ==
+    fvOptions(rho, U)
+);
+fvVectorMatrix& UEqn = tUEqn.ref();
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor())
+{
+    solve(UEqn == -fvc::grad(p));
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}

YEqn.H

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

createFieldRefs.H

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

createFields.H

@@ -0,0 +1,125 @@
+Info<< "Creating reaction model\n" << endl;
+
+autoPtr<combustionModels::psiCombustionModel> reaction
+(
+    combustionModels::psiCombustionModel::New(mesh)
+);
+
+psiReactionThermo& thermo = reaction->thermo();
+thermo.validate(args.executable(), "h", "e");
+
+basicMultiComponentMixture& composition = thermo.composition();
+PtrList<volScalarField>& Y = composition.Y();
+
+word inertSpecie(thermo.lookup("inertSpecie"));
+
+volScalarField rho
+(
+    IOobject
+    (
+        "rho",
+        runTime.timeName(),
+        mesh
+    ),
+    thermo.rho()
+);
+
+Info<< "Reading field U\n" << endl;
+volVectorField U
+(
+    IOobject
+    (
+        "U",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+
+volScalarField& p = thermo.p();
+
+#include "compressibleCreatePhi.H"
+
+dimensionedScalar rhoMax
+(
+    dimensionedScalar::lookupOrDefault
+    (
+        "rhoMax",
+        pimple.dict(),
+        dimDensity,
+        GREAT
+    )
+);
+
+dimensionedScalar rhoMin
+(
+    dimensionedScalar::lookupOrDefault
+    (
+        "rhoMin",
+        pimple.dict(),
+        dimDensity,
+        0
+    )
+);
+
+mesh.setFluxRequired(p.name());
+
+Info << "Creating turbulence model.\n" << nl;
+autoPtr<compressible::turbulenceModel> turbulence
+(
+    compressible::turbulenceModel::New
+    (
+        rho,
+        U,
+        phi,
+        thermo
+    )
+);
+
+// Set the turbulence into the reaction model
+reaction->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));
+
+
+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"

eReactingFoam.C

@@ -0,0 +1,128 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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
+    reactingFoam
+
+Description
+    Solver for combustion with chemical reactions.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "turbulentFluidThermoModel.H"
+#include "psiCombustionModel.H"
+#include "multivariateScheme.H"
+#include "pimpleControl.H"
+#include "fvOptions.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 "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFieldRefs.H"
+    #include "createFvOptions.H"
+
+    turbulence->validate();
+
+    if (!LTS)
+    {
+        #include "compressibleCourantNo.H"
+        #include "setInitialDeltaT.H"
+    }
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.run())
+    {
+        #include "readTimeControls.H"
+
+        if (LTS)
+        {
+            #include "setRDeltaT.H"
+        }
+        else
+        {
+            #include "compressibleCourantNo.H"
+            #include "setDeltaT.H"
+        }
+
+        runTime++;
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        #include "rhoEqn.H"
+
+        while (pimple.loop())
+        {
+            #include "UEqn.H"
+            #include "YEqn.H"
+            #include "EEqn.H"
+
+            // --- Pressure corrector loop
+            while (pimple.correct())
+            {
+                if (pimple.consistent())
+                {
+                    #include "pcEqn.H"
+                }
+                else
+                {
+                    #include "pEqn.H"
+                }
+            }
+
+            if (pimple.turbCorr())
+            {
+                turbulence->correct();
+            }
+        }
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

pEqn.H

@@ -0,0 +1,106 @@
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rho*rAU));
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+if (pimple.nCorrPISO() <= 1)
+{
+    tUEqn.clear();
+}
+
+if (pimple.transonic())
+{
+    surfaceScalarField phid
+    (
+        "phid",
+        fvc::interpolate(psi)
+       *(
+            fvc::flux(HbyA)
+          + rhorAUf*fvc::ddtCorr(rho, U, phi)/fvc::interpolate(rho)
+        )
+    );
+
+    MRF.makeRelative(fvc::interpolate(psi), phid);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(psi, p)
+          + fvm::div(phid, p)
+          - fvm::laplacian(rhorAUf, p)
+         ==
+            fvOptions(psi, p, rho.name())
+        );
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi == pEqn.flux();
+        }
+    }
+}
+else
+{
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        (
+            fvc::flux(rho*HbyA)
+          + rhorAUf*fvc::ddtCorr(rho, U, phi)
+        )
+    );
+
+    MRF.makeRelative(fvc::interpolate(rho), phiHbyA);
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rho, U, phiHbyA, rhorAUf, MRF);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(psi, p)
+          + fvc::div(phiHbyA)
+          - fvm::laplacian(rhorAUf, p)
+         ==
+            fvOptions(psi, p, rho.name())
+        );
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi = phiHbyA + pEqn.flux();
+        }
+    }
+}
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrs.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+
+// Recalculate density from the relaxed pressure
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+Info<< "rho max/min : " << max(rho).value()
+    << " " << min(rho).value() << endl;
+
+U = HbyA - rAU*fvc::grad(p);
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+if (thermo.dpdt())
+{
+    dpdt = fvc::ddt(p);
+}

pcEqn.H

@@ -0,0 +1,127 @@
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+volScalarField rAU(1.0/UEqn.A());
+volScalarField rAtU(1.0/(1.0/rAU - UEqn.H1()));
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+if (pimple.nCorrPISO() <= 1)
+{
+    tUEqn.clear();
+}
+
+if (pimple.transonic())
+{
+    surfaceScalarField phid
+    (
+        "phid",
+        fvc::interpolate(psi)
+       *(
+            fvc::flux(HbyA)
+          + fvc::interpolate(rho*rAU)*fvc::ddtCorr(rho, U, phi)
+           /fvc::interpolate(rho)
+        )
+    );
+
+    MRF.makeRelative(fvc::interpolate(psi), phid);
+
+    surfaceScalarField phic
+    (
+        "phic",
+        fvc::interpolate(rho*(rAtU - rAU))*fvc::snGrad(p)*mesh.magSf()
+    );
+
+    HbyA -= (rAU - rAtU)*fvc::grad(p);
+
+    volScalarField rhorAtU("rhorAtU", rho*rAtU);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(psi, p)
+          + fvm::div(phid, p)
+          + fvc::div(phic)
+          - fvm::laplacian(rhorAtU, p)
+         ==
+            fvOptions(psi, p, rho.name())
+        );
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi == phic + pEqn.flux();
+        }
+    }
+}
+else
+{
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        (
+            fvc::flux(rho*HbyA)
+          + fvc::interpolate(rho*rAU)*fvc::ddtCorr(rho, U, phi)
+        )
+    );
+
+    MRF.makeRelative(fvc::interpolate(rho), phiHbyA);
+
+    phiHbyA += fvc::interpolate(rho*(rAtU - rAU))*fvc::snGrad(p)*mesh.magSf();
+    HbyA -= (rAU - rAtU)*fvc::grad(p);
+
+    volScalarField rhorAtU("rhorAtU", rho*rAtU);
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rho, U, phiHbyA, rhorAtU, MRF);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        fvScalarMatrix pEqn
+        (
+            fvm::ddt(psi, p)
+          + fvc::div(phiHbyA)
+          - fvm::laplacian(rhorAtU, p)
+         ==
+            fvOptions(psi, p, rho.name())
+        );
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi = phiHbyA + pEqn.flux();
+        }
+    }
+}
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrs.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+
+U = HbyA - rAtU*fvc::grad(p);
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+if (thermo.dpdt())
+{
+    dpdt = fvc::ddt(p);
+}
+
+// Recalculate density from the relaxed pressure
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+
+if (!pimple.transonic())
+{
+    rho.relax();
+}
+
+Info<< "rho max/min : " << max(rho).value() << " " << min(rho).value() << endl;

setRDeltaT.H

@@ -0,0 +1,128 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  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/>.
+
+\*---------------------------------------------------------------------------*/
+
+{
+    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", 1)
+    );
+
+    // 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
+    if (alphaTemp < 1.0)
+    {
+        volScalarField::Internal rDeltaTT
+        (
+            mag(reaction->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
+        );
+    }
+
+    // Update tho boundary values of the reciprocal time-step
+    rDeltaT.correctBoundaryConditions();
+
+    Info<< "    Overall     = "
+        << gMin(1/rDeltaT.primitiveField())
+        << ", " << gMax(1/rDeltaT.primitiveField()) << endl;
+}
+
+
+// ************************************************************************* //