thermoI.H

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#include "thermo.H"
#include "IOmanip.H"

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

template<class Thermo, template<class> class Type>
inline Foam::species::thermo<Thermo, Type>::thermo
(
    const Thermo& sp
)
:
    Thermo(sp)
{}


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


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

template<class Thermo, template<class> class Type>
inline bool
Foam::species::thermo<Thermo, Type>::enthalpy()
{
    return Type<thermo<Thermo, Type>>::enthalpy();
}


template<class Thermo, template<class> class Type>
inline Foam::word
Foam::species::thermo<Thermo, Type>::heName()
{
    return Type<thermo<Thermo, Type>>::energyName();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::Cpv(const scalar p, const scalar T) const
{
    return Type<thermo<Thermo, Type>>::Cpv(*this, p, T);
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::gamma(const scalar p, const scalar T) const
{
    const scalar Cp = this->Cp(p, T);
    return Cp/(Cp - this->CpMCv(p, T));
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::HE(const scalar p, const scalar T) const
{
    return Type<thermo<Thermo, Type>>::HE(*this, p, T);
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::G(const scalar p, const scalar T) const
{
    return this->Ha(p, T) - T*this->S(p, T);
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::A(const scalar p, const scalar T) const
{
    return this->Ea(p, T) - T*this->S(p, T);
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::cp(const scalar p, const scalar T) const
{
    return this->Cp(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::ha(const scalar p, const scalar T) const
{
    return this->Ha(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::hs(const scalar p, const scalar T) const
{
    return this->Hs(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::hc() const
{
    return this->Hf()*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::s(const scalar p, const scalar T) const
{
    return this->S(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::he(const scalar p, const scalar T) const
{
    return this->HE(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::cv(const scalar p, const scalar T) const
{
    return this->Cv(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::es(const scalar p, const scalar T) const
{
    return this->Es(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::ea(const scalar p, const scalar T) const
{
    return this->Ea(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::g(const scalar p, const scalar T) const
{
    return this->G(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::a(const scalar p, const scalar T) const
{
    return this->A(p, T)*this->W();
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::K(const scalar p, const scalar T) const
{
    scalar arg = -this->Y()*this->Gstd(T)/(RR*T);

    if (arg < 600)
    {
        return exp(arg);
    }
    else
    {
        return rootVGreat;
    }
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::Kp(const scalar p, const scalar T) const
{
    return K(p, T);
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::Kc(const scalar p, const scalar T) const
{
    const scalar nm = this->Y()/this->W();

    if (equal(nm, small))
    {
        return Kp(p, T);
    }
    else
    {
        return Kp(p, T)*pow(Pstd/(RR*T), nm);
    }
}


template<class Thermo, template<class> class Type>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::Kx
(
    const scalar p,
    const scalar T
) const
{
    const scalar nm = this->Y()/this->W();

    if (equal(nm, small))
    {
        return Kp(p, T);
    }
    else
    {
        return Kp(p, T)*pow(Pstd/p, nm);
    }
}


template<class Thermo, template<class> class Type>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::Kn
(
    const scalar p,
    const scalar T,
    const scalar n
) const
{
    const scalar nm = this->Y()/this->W();

    if (equal(nm, small))
    {
        return Kp(p, T);
    }
    else
    {
        return Kp(p, T)*pow(n*Pstd/p, nm);
    }
}



template<class Thermo, template<class> class Type>
template<class ThermoType, class FType, class dFdTType, class LimitType>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::T
(
    const ThermoType& thermo,
    const scalar f,
    const scalar p,
    const scalar T0,
    FType F,
    dFdTType dFdT,
    LimitType limit,
    const bool diagnostics
)
{
    if (T0 < 0)
    {
        FatalErrorInFunction
            << "Negative initial temperature T0: " << T0
            << abort(FatalError);
    }

    scalar Test = T0;
    scalar Tnew = T0;
    scalar Ttol = T0*tol_;
    int    iter = 0;

    if (diagnostics)
    {
        const unsigned int width = IOstream::defaultPrecision() + 8;

        InfoInFunction
            << "Energy -> temperature conversion failed to converge:" << endl;
        Pout<< setw(width) << "iter"
            << setw(width) << "Test"
            << setw(width) << "e/h"
            << setw(width) << "Cv/p"
            << setw(width) << "Tnew"
            << endl;
    }
    do
    {
        Test = Tnew;
        Tnew =
            (thermo.*limit)
            (Test - ((thermo.*F)(p, Test) - f)/(thermo.*dFdT)(p, Test));

        if (diagnostics)
        {
            const unsigned int width = IOstream::defaultPrecision() + 8;

            Pout<< setw(width) << iter
                << setw(width) << Test
                << setw(width) << ((thermo.*F)(p, Test))
                << setw(width) << ((thermo.*dFdT)(p, Test))
                << setw(width) << Tnew
                << endl;
        }

        if (iter++ > maxIter_)
        {
            if (!diagnostics)
            {
                T(thermo, f, p, T0, F, dFdT, limit, true);
            }

            FatalErrorInFunction
                << "Maximum number of iterations exceeded: " << maxIter_
                << abort(FatalError);
        }

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

    return Tnew;
}


template<class Thermo, template<class> class Type>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::THE
(
    const scalar he,
    const scalar p,
    const scalar T0
) const
{
    return Type<thermo<Thermo, Type>>::THE(*this, he, p, T0);
}


template<class Thermo, template<class> class Type>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::THs
(
    const scalar hs,
    const scalar p,
    const scalar T0
) const
{
    return T
    (
        *this,
        hs,
        p,
        T0,
        &thermo<Thermo, Type>::Hs,
        &thermo<Thermo, Type>::Cp,
        &thermo<Thermo, Type>::limit
    );
}


template<class Thermo, template<class> class Type>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::THa
(
    const scalar ha,
    const scalar p,
    const scalar T0
) const
{
    return T
    (
        *this,
        ha,
        p,
        T0,
        &thermo<Thermo, Type>::Ha,
        &thermo<Thermo, Type>::Cp,
        &thermo<Thermo, Type>::limit
    );
}


template<class Thermo, template<class> class Type>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::TEs
(
    const scalar es,
    const scalar p,
    const scalar T0
) const
{
    return T
    (
        *this,
        es,
        p,
        T0,
        &thermo<Thermo, Type>::Es,
        &thermo<Thermo, Type>::Cv,
        &thermo<Thermo, Type>::limit
    );
}


template<class Thermo, template<class> class Type>
inline Foam::scalar Foam::species::thermo<Thermo, Type>::TEa
(
    const scalar ea,
    const scalar p,
    const scalar T0
) const
{
    return T
    (
        *this,
        ea,
        p,
        T0,
        &thermo<Thermo, Type>::Ea,
        &thermo<Thermo, Type>::Cv,
        &thermo<Thermo, Type>::limit
    );
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::dKcdTbyKc
(
    const scalar p,
    const scalar T
) const
{
    const scalar dKcdTbyKc =
        (this->S(Pstd, T) + this->Gstd(T)/T)*this->Y()/(RR*T);

    const scalar nm = this->Y()/this->W();
    if (equal(nm, small))
    {
        return dKcdTbyKc;
    }
    else
    {
        return dKcdTbyKc - nm/T;
    }
}


template<class Thermo, template<class> class Type>
inline Foam::scalar
Foam::species::thermo<Thermo, Type>::dcpdT(const scalar p, const scalar T) const
{
    return this->dCpdT(p, T)*this->W();;
}


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

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


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


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

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


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


template<class Thermo, template<class> class Type>
inline Foam::species::thermo<Thermo, Type> Foam::species::operator==
(
    const thermo<Thermo, Type>& st1,
    const thermo<Thermo, Type>& st2
)
{
    return thermo<Thermo, Type>
    (
        static_cast<const Thermo&>(st1) == static_cast<const Thermo&>(st2)
    );
}


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