FallOffReactionRateI.H

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#define FALL_OFF_FUNCTION_JACOBIAN false

// * * * * * * * * * * * * * * * * 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)
{}


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"))
{}


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

template<class ReactionRate, class FallOffFunction>
inline void
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::preEvaluate() const
{
    k0_.preEvaluate();
    kInf_.preEvaluate();
}


template<class ReactionRate, class FallOffFunction>
inline void
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::postEvaluate() const
{
    k0_.postEvaluate();
    kInf_.postEvaluate();
}


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 M = thirdBodyEfficiencies_.M(c);
    const scalar Pr = k0/kInf*M;
    const scalar F = F_(T, Pr);

    return kInf*(Pr/(1 + Pr))*F;
}


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 M = thirdBodyEfficiencies_.M(c);
    const scalar Pr = k0/kInf*M;
    const scalar F = F_(T, Pr);

    const scalar dkInfdT = kInf_.ddT(p, T, c, li);

    #if FALL_OFF_FUNCTION_JACOBIAN

    const scalar dk0dT = k0_.ddT(p, T, c, li);
    const scalar dPrdT = (M*dk0dT - Pr*dkInfdT)/kInf;
    const scalar dFdT = F_.ddT(T, Pr, F) + F_.ddPr(T, Pr, F)*dPrdT;

    return
        dkInfdT*(Pr/(1 + Pr))*F
      + kInf*dPrdT/sqr(1 + Pr)*F
      + kInf*(Pr/(1 + Pr))*dFdT;

    #else

    return dkInfdT*(Pr/(1 + Pr))*F;

    #endif
}


template<class ReactionRate, class FallOffFunction>
inline bool
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::hasDdc() const
{
    return true;
}


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

    #if FALL_OFF_FUNCTION_JACOBIAN

    scalarField dk0dc(c.size(), 0);
    k0_.ddc(p, T, c, li, dk0dc);
    scalarField dkInfdc(c.size(), 0);
    kInf_.ddc(p, T, c, li, dkInfdc);
    tmp<scalarField> tdMdc = thirdBodyEfficiencies_.dMdc(c);
    const scalarField& dMdc = tdMdc();
    scalarField dPrdc((M*dk0dc - Pr*dkInfdc + k0*dMdc)/kInf);
    const scalar dFdPr = F_.ddPr(T, Pr, F);

    ddc =
        dkInfdc*(Pr/(1 + Pr))*F
      + kInf*dPrdc/sqr(1 + Pr)*F
      + kInf*(Pr/(1 + Pr))*dFdPr*dPrdc;

    #else

    kInf_.ddc(p, T, c, li, ddc);

    ddc *= (Pr/(1 + Pr))*F;

    #endif
}


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;
}


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