FallOffReactionRateI.H

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

template<class ReactionRate, class FallOffFunction>
inline Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::
FallOffReactionRate
(
    const ReactionRate& k0,
    const ReactionRate& kInf,
    const FallOffFunction& F,
    const thirdBodyEfficiencies& tbes
)
:
    k0_(k0),
    kInf_(kInf),
    F_(F),
    thirdBodyEfficiencies_(tbes)
{
    forAll(tbes, i)
    {
        beta_.append(Tuple2<label, scalar>(i, tbes[i]));
    }
}


template<class ReactionRate, class FallOffFunction>
inline Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::
FallOffReactionRate
(
    const speciesTable& species,
    const dictionary& dict
)
:
    k0_(species, dict.subDict("k0")),
    kInf_(species, dict.subDict("kInf")),
    F_(dict.subDict("F")),
    thirdBodyEfficiencies_(species, dict.subDict("thirdBodyEfficiencies"))
{
    forAll(thirdBodyEfficiencies_, i)
    {
        beta_.append
        (
            Tuple2<label, scalar>
            (
                i,
                thirdBodyEfficiencies_[i]
            )
        );
    }
}


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

template<class ReactionRate, class FallOffFunction>
inline Foam::scalar
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::operator()
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li
) const
{
    const scalar k0 = k0_(p, T, c, li);
    const scalar kInf = kInf_(p, T, c, li);
    const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;

    return kInf*(Pr/(1 + Pr))*F_(T, Pr);
}


template<class ReactionRate, class FallOffFunction>
inline Foam::scalar
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::ddT
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li
) const
{
    const scalar k0 = k0_(p, T, c, li);
    const scalar kInf = kInf_(p, T, c, li);
    const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;

    return (Pr/(1 + Pr))*F_(T, Pr)*kInf_.ddT(p, T, c, li);
}


template<class ReactionRate, class FallOffFunction>
inline void Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::dcidc
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li,
    scalarField& dcidc
) const
{
    const scalar M = thirdBodyEfficiencies_.M(c);

    if (M > small)
    {
        const scalar k0 = k0_(p, T, c, li);
        const scalar kInf = kInf_(p, T, c, li);
        const scalar Pr = k0*M/kInf;
        const scalar F = F_(T, Pr);

        forAll(beta_, i)
        {
            const scalar dPrdci = -beta_[i].second()*k0/kInf;
            const scalar dFdci = F_.ddc(Pr, F, dPrdci, T);
            dcidc[i] = (dPrdci/(Pr*(1 + Pr)) + dFdci/F);
        }
    }
    else
    {
        forAll(beta_, i)
        {
            dcidc[i] = 0;
        }
    }
}


template<class ReactionRate, class FallOffFunction>
inline Foam::scalar
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::dcidT
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li
) const
{
    const scalar M = thirdBodyEfficiencies_.M(c);

    if (M > small)
    {
        const scalar k0 = k0_(p, T, c, li);
        const scalar kInf = kInf_(p, T, c, li);

        const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
        const scalar F = F_(T, Pr);
        const scalar dPrdT =
            Pr*(k0_.ddT(p, T, c, li)/k0 - kInf_.ddT(p, T, c, li)/kInf - 1/T);
        const scalar dFdT = F_.ddT(Pr, F, dPrdT, T);

        return (dPrdT/(Pr*(1 + Pr)) + dFdT/F);
    }
    else
    {
        return 0;
    }
}


template<class ReactionRate, class FallOffFunction>
inline void Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::write
(
    Ostream& os
) const
{
    os  << indent << "k0" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    k0_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;

    os  << indent << "kInf" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    kInf_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;

    os  << indent << "F" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    F_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;

    os  << indent << "thirdBodyEfficiencies" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    thirdBodyEfficiencies_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;
}


template<class ReactionRate, class FallOffFunction>
inline Foam::Ostream& Foam::operator<<
(
    Ostream& os,
    const FallOffReactionRate<ReactionRate, FallOffFunction>& forr
)
{
    forr.write(os);
    return os;
}


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