multiComponentMixture.C

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    Copyright (C) 2021-2022 OpenCFD Ltd.
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#include "multiComponentMixture.H"

// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //

template<class ThermoType>
const ThermoType& Foam::multiComponentMixture<ThermoType>::constructSpeciesData
(
    const dictionary& thermoDict
)
{
    forAll(species_, i)
    {
        speciesData_.set
        (
            i,
            new ThermoType(thermoDict.subDict(species_[i]))
        );
    }

    return speciesData_[0];
}


template<class ThermoType>
void Foam::multiComponentMixture<ThermoType>::correctMassFractions()
{
    // Multiplication by 1.0 changes Yt patches to "calculated"
    volScalarField Yt("Yt", 1.0*Y_[0]);

    for (label n=1; n<Y_.size(); n++)
    {
        Yt += Y_[n];
    }

    if (mag(min(Yt).value()) < ROOTVSMALL)
    {
        FatalErrorInFunction
            << "Sum of mass fractions is zero for species " << this->species()
            << nl
            << incrIndent << indent
            << "Min of mass fraction sum " << min(Yt).value()
            << decrIndent
            << exit(FatalError);
    }

    const scalar diff(mag(max(Yt).value()) - scalar(1));

    if (diff > ROOTVSMALL)
    {
        WarningInFunction
            << "Sum of mass fractions is different from one for species "
            << this->species()
            << nl << incrIndent << indent
            << "Max of mass fraction sum differs from 1 by " << diff
            << decrIndent << nl;
    }

    forAll(Y_, n)
    {
        Y_[n] /= Yt;
    }
}


// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //

template<class ThermoType>
Foam::multiComponentMixture<ThermoType>::multiComponentMixture
(
    const dictionary& thermoDict,
    const wordList& specieNames,
    const ReactionTable<ThermoType>& thermoData,
    const fvMesh& mesh,
    const word& phaseName
)
:
    basicSpecieMixture(thermoDict, specieNames, mesh, phaseName),
    speciesData_(species_.size()),
    mixture_("mixture", *thermoData[specieNames[0]]),
    mixtureVol_("volMixture", *thermoData[specieNames[0]])
{
    forAll(species_, i)
    {
        speciesData_.set
        (
            i,
            new ThermoType(*thermoData[species_[i]])
        );
    }

    correctMassFractions();
}


template<class ThermoType>
Foam::multiComponentMixture<ThermoType>::multiComponentMixture
(
    const dictionary& thermoDict,
    const fvMesh& mesh,
    const word& phaseName
)
:
    basicSpecieMixture
    (
        thermoDict,
        thermoDict.lookup("species"),
        mesh,
        phaseName
    ),
    speciesData_(species_.size()),
    mixture_("mixture", constructSpeciesData(thermoDict)),
    mixtureVol_("volMixture", speciesData_[0])
{
    correctMassFractions();
}


// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //

template<class ThermoType>
const ThermoType& Foam::multiComponentMixture<ThermoType>::cellMixture
(
    const label celli
) const
{
    mixture_ = Y_[0][celli]*speciesData_[0];

    for (label n=1; n<Y_.size(); n++)
    {
        mixture_ += Y_[n][celli]*speciesData_[n];
    }

    return mixture_;
}


template<class ThermoType>
const ThermoType& Foam::multiComponentMixture<ThermoType>::patchFaceMixture
(
    const label patchi,
    const label facei
) const
{
    mixture_ = Y_[0].boundaryField()[patchi][facei]*speciesData_[0];

    for (label n=1; n<Y_.size(); n++)
    {
        mixture_ += Y_[n].boundaryField()[patchi][facei]*speciesData_[n];
    }

    return mixture_;
}


template<class ThermoType>
const ThermoType& Foam::multiComponentMixture<ThermoType>::cellVolMixture
(
    const scalar p,
    const scalar T,
    const label celli
) const
{
    scalar rhoInv = 0.0;
    forAll(speciesData_, i)
    {
        rhoInv += Y_[i][celli]/speciesData_[i].rho(p, T);
    }

    mixtureVol_ =
        Y_[0][celli]/speciesData_[0].rho(p, T)/rhoInv*speciesData_[0];

    for (label n=1; n<Y_.size(); n++)
    {
        mixtureVol_ +=
            Y_[n][celli]/speciesData_[n].rho(p, T)/rhoInv*speciesData_[n];
    }

    return mixtureVol_;
}


template<class ThermoType>
const ThermoType& Foam::multiComponentMixture<ThermoType>::
patchFaceVolMixture
(
    const scalar p,
    const scalar T,
    const label patchi,
    const label facei
) const
{
    scalar rhoInv = 0.0;
    forAll(speciesData_, i)
    {
        rhoInv +=
            Y_[i].boundaryField()[patchi][facei]/speciesData_[i].rho(p, T);
    }

    mixtureVol_ =
        Y_[0].boundaryField()[patchi][facei]/speciesData_[0].rho(p, T)/rhoInv
      * speciesData_[0];

    for (label n=1; n<Y_.size(); n++)
    {
        mixtureVol_ +=
            Y_[n].boundaryField()[patchi][facei]/speciesData_[n].rho(p,T)
          / rhoInv*speciesData_[n];
    }

    return mixtureVol_;
}


template<class ThermoType>
void Foam::multiComponentMixture<ThermoType>::read
(
    const dictionary& thermoDict
)
{
    forAll(species_, i)
    {
        speciesData_[i] = ThermoType(thermoDict.subDict(species_[i]));
    }
}


// ************************************************************************* //