TroeFallOffFunctionI.H

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

inline Foam::TroeFallOffFunction::TroeFallOffFunction
(
    const scalar alpha,
    const scalar Tsss,
    const scalar Ts,
    const scalar Tss
)
:
    alpha_(alpha),
    Tsss_(Tsss),
    Ts_(Ts),
    Tss_(Tss)
{}


inline Foam::TroeFallOffFunction::TroeFallOffFunction(const dictionary& dict)
:
    alpha_(dict.lookup<scalar>("alpha")),
    Tsss_(dict.lookup<scalar>("Tsss")),
    Ts_(dict.lookup<scalar>("Ts")),
    Tss_(dict.lookup<scalar>("Tss"))
{}


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

inline Foam::scalar Foam::TroeFallOffFunction::operator()
(
    const scalar T,
    const scalar Pr
) const
{
    scalar logFcent = log10
    (
        max
        (
            (1 - alpha_)*exp(-T/Tsss_) + alpha_*exp(-T/Ts_) + exp(-Tss_/T),
            small
        )
    );

    scalar c = -0.4 - 0.67*logFcent;
    static const scalar d = 0.14;
    scalar n = 0.75 - 1.27*logFcent;

    scalar logPr = log10(max(Pr, small));
    return pow(10, logFcent/(1 + sqr((logPr + c)/(n - d*(logPr + c)))));
}


inline Foam::scalar Foam::TroeFallOffFunction::ddT
(
    const scalar Pr,
    const scalar F,
    const scalar dPrdT,
    const scalar T
) const
{
    scalar logPr = log10(max(Pr, small));
    scalar logTen = log(10.0);
    scalar Fcent =
    (
        max
        (
            (1 - alpha_)*exp(-T/Tsss_) + alpha_*exp(-T/Ts_) + exp(-Tss_/T),
            small
        )
    );
    scalar logFcent = log10(Fcent);

    scalar dFcentdT =
    (
        (alpha_ - 1)*exp(-T/Tsss_)/Tsss_
      - alpha_*exp(-T/Ts_)/Ts_
      + Tss_*exp(-Tss_/T)/sqr(T)
    );

    scalar d = 0.14;
    scalar dlogFcentdT = dFcentdT/Fcent/logTen;
    scalar c = -0.4 - 0.67*logFcent;
    scalar dcdT = -0.67*dlogFcentdT;
    scalar n = 0.75 - 1.27*logFcent;
    scalar dndT = -1.27*dlogFcentdT;

    scalar dlogPrdT = dPrdT/Pr/logTen;

    scalar dParentdT =
        2.0*(logPr + c)/sqr(n - d*(logPr + c))
       *(
            (dlogPrdT + dcdT)
          - (logPr + c)*(dndT - d*(dlogPrdT + dcdT))/(n - d*(logPr + c))
        );

    return
    (
        F*logTen
       *(
            dlogFcentdT/(1.0 + sqr((logPr + c)/(n - d*(logPr + c))))
          - logFcent*dParentdT/sqr(1.0 + sqr((logPr + c)/(n - d*(logPr + c))))
        )
    );
}


inline Foam::scalar Foam::TroeFallOffFunction::ddc
(
    const scalar Pr,
    const scalar F,
    const scalar dPrdc,
    const scalar T
) const
{
    scalar logPr = log10(max(Pr, small));
    scalar logTen = log(10.0);
    scalar logFcent = log10
    (
        max
        (
            (1 - alpha_)*exp(-T/Tsss_) + alpha_*exp(-T/Ts_) + exp(-Tss_/T),
            small
        )
    );

    scalar dlogPrdc = dPrdc/Pr/logTen;
    scalar d = 0.14;
    scalar c = -0.4 - 0.67*logFcent;
    scalar n = 0.75 - 1.27*logFcent;

    scalar dParentdc =
        2.0*(logPr + c)/sqr(n - d*(logPr + c))
       *(
            (dlogPrdc)
          - (logPr + c)*(-d*(dlogPrdc))/(n - d*(logPr + c))
        );

    return
    (
        F*logTen
       *(
          - logFcent*dParentdc/sqr(1.0 + sqr((logPr + c)/(n - d*(logPr + c))))
        )
    );
}


inline void Foam::TroeFallOffFunction::write(Ostream& os) const
{
    writeEntry(os, "alpha", alpha_);
    writeEntry(os, "Tsss", Tsss_);
    writeEntry(os, "Ts", Ts_);
    writeEntry(os, "Tss", Tss_);
}


// * * * * * * * * * * * * * * * Ostream Operator  * * * * * * * * * * * * * //

inline Foam::Ostream& Foam::operator<<
(
    Foam::Ostream& os,
    const Foam::TroeFallOffFunction& tfof
)
{
    tfof.write(os);
    return os;
}


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