specieThermoI.H

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  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
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    \\  /    A nd           | Copyright (C) 1991-2010 OpenCFD Ltd.
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#include "specieThermo.H"

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

template<class thermo>
inline Foam::specieThermo<thermo>::specieThermo
(
    const thermo& sp
)
:
    thermo(sp)
{}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::T
(
    scalar f,
    scalar T0,
    scalar (specieThermo<thermo>::*F)(const scalar) const,
    scalar (specieThermo<thermo>::*dFdT)(const scalar) const
) const
{
    scalar Test = T0;
    scalar Tnew = T0;
    scalar Ttol = T0*tol_;
    int    iter = 0;

    do
    {
        Test = Tnew;
        Tnew = Test - ((this->*F)(Test) - f)/(this->*dFdT)(Test);

        if (iter++ > maxIter_)
        {
            FatalErrorIn
            (
                "specieThermo<thermo>::T(scalar f, scalar T0, "
                "scalar (specieThermo<thermo>::*F)(const scalar) const, "
                "scalar (specieThermo<thermo>::*dFdT)(const scalar) const"
                ") const"
            )   << "Maximum number of iterations exceeded"
                << abort(FatalError);
        }

    } while (mag(Tnew - Test) > Ttol);

    return Tnew;
}


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

template<class thermo>
inline Foam::specieThermo<thermo>::specieThermo
(
    const word& name,
    const specieThermo& st
)
:
    thermo(name, st)
{}


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

template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::cv(const scalar T) const
{
    return this->cp(T) - this->RR;
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::gamma(const scalar T) const
{
    scalar CP = this->cp(T);
    return CP/(CP - this->RR);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::e(const scalar T) const
{
    return this->h(T) - this->RR*(T - this->Tstd);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::es(const scalar T) const
{
    return this->hs(T) - this->RR*(T - this->Tstd);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::g(const scalar T) const
{
    return this->h(T) - T*this->s(T);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::a(const scalar T) const
{
    return this->e(T) - T*this->s(T);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Cp(const scalar T) const
{
    return this->cp(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Cv(const scalar T) const
{
    return this->cv(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::H(const scalar T) const
{
    return this->h(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Hs(const scalar T) const
{
    return this->hs(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Hc() const
{
    return this->hc()/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::S(const scalar T) const
{
    return this->s(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::E(const scalar T) const
{
    return this->e(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::G(const scalar T) const
{
    return this->g(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::A(const scalar T) const
{
    return this->a(T)/this->W();
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::K(const scalar T) const
{
    scalar arg = -this->nMoles()*this->g(T)/(this->RR*T);

    if (arg < 600.0)
    {
        return ::exp(arg);
    }
    else
    {
        return VGREAT;
    }
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Kp(const scalar T) const
{
    return K(T);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Kc(const scalar T) const
{
    if (equal(this->nMoles(), SMALL))
    {
        return Kp(T);
    }
    else
    {
        return Kp(T)*pow(this->Pstd/(this->RR*T), this->nMoles());
    }
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Kx
(
    const scalar T,
    const scalar p
) const
{
    if (equal(this->nMoles(), SMALL))
    {
        return Kp(T);
    }
    else
    {
        return Kp(T)*pow(this->Pstd/p, this->nMoles());
    }
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::Kn
(
    const scalar T,
    const scalar p,
    const scalar n
) const
{
    if (equal(this->nMoles(), SMALL))
    {
        return Kp(T);
    }
    else
    {
        return Kp(T)*pow(n*this->Pstd/p, this->nMoles());
    }
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::TH
(
    const scalar h,
    const scalar T0
) const
{
    return T(h, T0, &specieThermo<thermo>::H, &specieThermo<thermo>::Cp);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::THs
(
    const scalar hs,
    const scalar T0
) const
{
    return T(hs, T0, &specieThermo<thermo>::Hs, &specieThermo<thermo>::Cp);
}


template<class thermo>
inline Foam::scalar Foam::specieThermo<thermo>::TE
(
    const scalar e,
    const scalar T0
) const
{
    return T(e, T0, &specieThermo<thermo>::E, &specieThermo<thermo>::Cv);
}


// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //

template<class thermo>
inline void Foam::specieThermo<thermo>::operator+=
(
    const specieThermo<thermo>& st
)
{
    thermo::operator+=(st);
}

template<class thermo>
inline void Foam::specieThermo<thermo>::operator-=
(
    const specieThermo<thermo>& st
)
{
    thermo::operator-=(st);
}

template<class thermo>
inline void Foam::specieThermo<thermo>::operator*=(const scalar s)
{
    thermo::operator*=(s);
}


// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //

template<class thermo>
inline Foam::specieThermo<thermo> Foam::operator+
(
    const specieThermo<thermo>& st1,
    const specieThermo<thermo>& st2
)
{
    return specieThermo<thermo>
    (
        static_cast<const thermo&>(st1) + static_cast<const thermo&>(st2)
    );
}


template<class thermo>
inline Foam::specieThermo<thermo> Foam::operator-
(
    const specieThermo<thermo>& st1,
    const specieThermo<thermo>& st2
)
{
    return specieThermo<thermo>
    (
        static_cast<const thermo&>(st1) - static_cast<const thermo&>(st2)
    );
}


template<class thermo>
inline Foam::specieThermo<thermo> Foam::operator*
(
    const scalar s,
    const specieThermo<thermo>& st
)
{
    return specieThermo<thermo>
    (
        s*static_cast<const thermo&>(st)
    );
}


template<class thermo>
inline Foam::specieThermo<thermo> Foam::operator==
(
    const specieThermo<thermo>& st1,
    const specieThermo<thermo>& st2
)
{
    return st2 - st1;
}


// ************************ vim: set sw=4 sts=4 et: ************************ //