multicomponentThermo.C

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License
    This file is part of OpenFOAM.
 
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    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
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    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
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#include "multicomponentThermo.H"
 
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
 
namespace Foam
{
    defineTypeNameAndDebug(multicomponentThermo, 0);
}
 
 
// * * * * * * * * * * * * Protected Member Functions  * * * * * * * * * * * //
 
void Foam::multicomponentThermo::implementation::correctMassFractions
(
    const speciesTable& species
)
{
    if (species.size())
    {
        tmp<volScalarField> tYt
        (
            volScalarField::New
            (
                IOobject::groupName("Yt", Y_[0].group()),
                Y_[0],
                calculatedFvPatchScalarField::typeName
            )
        );
        volScalarField& Yt = tYt.ref();
 
        for (label i=1; i<Y_.size(); i++)
        {
            Yt += Y_[i];
        }
 
        if (min(Yt).value() == 0 && max(Yt).value() == 0)
        {
            FatalErrorInFunction
                << "Sum of specie mass fractions = 0"
                << exit(FatalError);
        }
 
        if (min(Yt).value() < 0.999)
        {
            FatalErrorInFunction
                << "Min sum of specie mass fractions " << min(Yt).value()
                << " < 0.999"
                << exit(FatalError);
        }
 
        if (max(Yt).value() > 1.001)
        {
            FatalErrorInFunction
                << "Max sum of specie mass fractions " << max(Yt).value()
                << " > 1.001"
                << exit(FatalError);
        }
 
        forAll(Y_, i)
        {
            Y_[i] /= Yt;
        }
    }
}
 
 
// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
Foam::multicomponentThermo::implementation::implementation
(
    const dictionary& dict,
    const speciesTable& species,
    const fvMesh& mesh,
    const word& phaseName,
    const bool requiresDefaultSpecie
)
:
    defaultSpecieName_
    (
        requiresDefaultSpecie && species.size()
      ? dict.lookupBackwardsCompatible<word>
        (
            {"defaultSpecie", "inertSpecie"}
        )
      : word("undefined")
    ),
    defaultSpeciei_
    (
        requiresDefaultSpecie && species.size()
      ? species[defaultSpecieName_]
      : -1
    ),
    Y_(species.size())
{
    if
    (
        species.size()
     && defaultSpecieName_ != "undefined"
     && defaultSpeciei_ == -1
    )
    {
        FatalIOErrorInFunction(dict)
            << "default specie " << defaultSpecieName_
            << " not found in available species " << species
            << exit(FatalIOError);
    }
 
    bool Yset = false;
 
    // Read the species' mass fractions
    forAll(species, i)
    {
        typeIOobject<volScalarField> header
        (
            IOobject::groupName(species[i], phaseName),
            mesh.time().name(),
            mesh,
            IOobject::NO_READ
        );
 
        if (header.headerOk())
        {
            // Read the mass fraction field
            Y_.set
            (
                i,
                new volScalarField
                (
                    IOobject
                    (
                        IOobject::groupName(species[i], phaseName),
                        mesh.time().name(),
                        mesh,
                        IOobject::MUST_READ,
                        IOobject::AUTO_WRITE
                    ),
                    mesh,
                    dimless
                )
            );
 
            Yset = true;
        }
        else
        {
            // Read Ydefault if not already read
            if (!Ydefault_.valid())
            {
                Ydefault_ = new volScalarField
                (
                    IOobject
                    (
                        IOobject::groupName("Ydefault", phaseName),
                        mesh.time().name(),
                        mesh,
                        IOobject::MUST_READ,
                        IOobject::NO_WRITE
                    ),
                    mesh,
                    dimless
                );
            }
 
            Y_.set
            (
                i,
                new volScalarField
                (
                    IOobject
                    (
                        IOobject::groupName(species[i], phaseName),
                        mesh.time().name(),
                        mesh,
                        IOobject::NO_READ,
                        IOobject::AUTO_WRITE
                    ),
                    Ydefault_()
                )
            );
        }
    }
 
    // If the mass fractions have been specified check and normalise
    if (Yset && defaultSpeciei_ != -1)
    {
        correctMassFractions(species);
    }
}
 
 
// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
Foam::multicomponentThermo::~multicomponentThermo()
{}
 
 
Foam::multicomponentThermo::implementation::~implementation()
{}
 
 
// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
Foam::label Foam::multicomponentThermo::implementation::defaultSpecie() const
{
    return defaultSpeciei_;
}
 
 
void Foam::multicomponentThermo::implementation::syncSpeciesActive() const
{
    if (Pstream::parRun())
    {
        boolList& speciesActive =
            const_cast<boolList&>(this->speciesActive());
 
        Pstream::listCombineGather(speciesActive, orEqOp<bool>());
        Pstream::listCombineScatter(speciesActive);
 
        PtrList<volScalarField>& Y =
            const_cast<PtrList<volScalarField>&>(this->Y());
 
        forAll(Y, speciei)
        {
            if (speciesActive[speciei])
            {
                Y[speciei].writeOpt() = IOobject::AUTO_WRITE;
            }
        }
    }
 
    if (Ydefault_.valid())
    {
        Ydefault_->writeOpt() = IOobject::AUTO_WRITE;
    }
}
 
 
Foam::PtrList<Foam::volScalarField>&
Foam::multicomponentThermo::implementation::Y()
{
    return Y_;
}
 
 
const Foam::PtrList<Foam::volScalarField>&
Foam::multicomponentThermo::implementation::Y() const
{
    return Y_;
}
 
 
void Foam::multicomponentThermo::implementation::normaliseY()
{
    if (defaultSpeciei_ != -1)
    {
        if (species().size())
        {
            tmp<volScalarField> tYt
            (
                volScalarField::New
                (
                    IOobject::groupName("Yt", phaseName()),
                    Y()[0].mesh(),
                    dimensionedScalar(dimless, 0)
                )
            );
            volScalarField& Yt = tYt.ref();
 
            forAll(Y(), i)
            {
                if (solveSpecie(i))
                {
                    Y()[i].max(scalar(0));
                    Yt += Y()[i];
                }
            }
 
            Y()[defaultSpeciei_] = scalar(1) - Yt;
            Y()[defaultSpeciei_].max(scalar(0));
        }
 
        if (Ydefault_.valid() && Ydefault_->writeOpt() == IOobject::NO_WRITE)
        {
            Ydefault_.clear();
        }
    }
}
 
 
// ************************************************************************* //