LangmuirHinshelwoodReactionRateI.H

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  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
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#include "FixedList.H"
#include "Tuple2.H"

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

inline Foam::LangmuirHinshelwoodReactionRate::LangmuirHinshelwoodReactionRate
(
    const scalar A[],
    const scalar Ta[],
    const label co,
    const label c3h6,
    const label no
)
:
    co_(co),
    c3h6_(c3h6),
    no_(no)
{
    for (int i=0; i<n_; i++)
    {
        A_[i] = A[i];
        Ta_[i] = Ta[i];
    }
}


inline Foam::LangmuirHinshelwoodReactionRate::LangmuirHinshelwoodReactionRate
(
    const speciesTable& st,
    Istream& is
)
:
    co_(st["CO"]),
    c3h6_(st["C3H6"]),
    no_(st["NO"])
{
    is.readBegin("LangmuirHinshelwoodReactionRate(Istream&)");

    for (int i=0; i<n_; i++)
    {
        is >> A_[i] >> Ta_[i];
    }

    is.readEnd("LangmuirHinshelwoodReactionRate(Istream&)");
}


inline Foam::LangmuirHinshelwoodReactionRate::LangmuirHinshelwoodReactionRate
(
    const speciesTable& st,
    const dictionary& dict
)
:
    co_(st["CO"]),
    c3h6_(st["C3H6"]),
    no_(st["NO"])
{
    // read (A, Ta) pairs
    FixedList<Tuple2<scalar, scalar>, n_> coeffs(dict.lookup("coeffs"));

    forAll(coeffs, i)
    {
        A_[i] = coeffs[i].first();
        Ta_[i] = coeffs[i].second();
    }
}


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

inline Foam::scalar Foam::LangmuirHinshelwoodReactionRate::operator()
(
    const scalar p,
    const scalar T,
    const scalarField& c
) const
{
    return A_[0]*exp(-Ta_[0]/T)/
    (
        T
       *sqr(1 + A_[1]*exp(-Ta_[1]/T)*c[co_] + A_[2]*exp(-Ta_[2]/T)*c[c3h6_])
       *(1 + A_[3]*exp(-Ta_[3]/T)*sqr(c[co_])*sqr(c[c3h6_]))
       *(1 + A_[4]*exp(-Ta_[4]/T)*pow(c[no_], 0.7))
    );
}


inline void Foam::LangmuirHinshelwoodReactionRate::write(Ostream& os) const
{
    FixedList<Tuple2<scalar, scalar>, n_> coeffs;

    forAll(coeffs, i)
    {
        coeffs[i].first() = A_[i];
        coeffs[i].second() = Ta_[i];
    }

    os.writeKeyword("coeffs") << coeffs << nl;
}


inline Foam::Ostream& Foam::operator<<
(
    Ostream& os,
    const LangmuirHinshelwoodReactionRate& lhrr
)
{
    os  << token::BEGIN_LIST;

    for (int i=0; i<LangmuirHinshelwoodReactionRate::n_; i++)
    {
        os  << token::SPACE
            << '(' << lhrr.A_[i] << token::SPACE << lhrr.Ta_[i] << ')';
    }

    os << token::END_LIST;

    return os;
}


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