SingleKineticRateDevolatilisation.C

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#include "SingleKineticRateDevolatilisation.H"

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

template<class CloudType>
Foam::SingleKineticRateDevolatilisation<CloudType>::
SingleKineticRateDevolatilisation
(
    const dictionary& dict,
    CloudType& owner
)
:
    DevolatilisationModel<CloudType>(dict, owner, typeName),
    volatileData_(this->coeffDict().lookup("volatileData")),
    YVolatile0_(volatileData_.size()),
    volatileToGasMap_(volatileData_.size()),
    residualCoeff_(this->coeffDict().template lookup<scalar>("residualCoeff"))
{
    if (volatileData_.empty())
    {
        WarningInFunction
            << "Devolatilisation model selected, but no volatiles defined"
            << nl << endl;
    }
    else
    {
        Info<< "Participating volatile species:" << endl;

        // Determine mapping between active volatiles and cloud gas components
        const label idGas = owner.composition().idGas();
        const scalar YGasTot = owner.composition().YMixture0()[idGas];
        const scalarField& YGas = owner.composition().Y0(idGas);
        forAll(volatileData_, i)
        {
            const word& specieName = volatileData_[i].name();
            const label id = owner.composition().localId(idGas, specieName);
            volatileToGasMap_[i] = id;
            YVolatile0_[i] = YGasTot*YGas[id];

            Info<< "    " << specieName << ": particle mass fraction = "
                << YVolatile0_[i] << endl;
        }
    }
}


// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //

template<class CloudType>
Foam::SingleKineticRateDevolatilisation<CloudType>::
~SingleKineticRateDevolatilisation()
{}


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

template<class CloudType>
void Foam::SingleKineticRateDevolatilisation<CloudType>::calculate
(
    const typename CloudType::parcelType& p,
    const typename CloudType::parcelType::trackingData& td,
    const scalar dt,
    const scalar mass0,
    const scalar mass,
    const scalar T,
    const scalarField& YGasEff,
    const scalarField& YLiquidEff,
    const scalarField& YSolidEff,
    label& canCombust,
    scalarField& dMassDV
) const
{
    bool done = true;
    forAll(volatileData_, i)
    {
        const label id = volatileToGasMap_[i];
        const scalar massVolatile0 = mass0*YVolatile0_[i];
        const scalar massVolatile = mass*YGasEff[id];

        // Combustion allowed once all volatile components evolved
        done = done && (massVolatile <= residualCoeff_*massVolatile0);

        // Model coefficients
        const scalar A1 = volatileData_[i].A1();
        const scalar E = volatileData_[i].E();

        // Kinetic rate
        const scalar kappa = A1*exp(-E/(RR*T));

        // Mass transferred from particle to carrier gas phase
        dMassDV[id] = min(dt*kappa*massVolatile, massVolatile);
    }

    if (done && canCombust != -1)
    {
        canCombust = 1;
    }
}


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