thermo.H

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    Copyright (C) 2020 OpenCFD Ltd.
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License
    This file is part of OpenFOAM.
 
    OpenFOAM is free software: you can redistribute it and/or modify it
    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
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    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
    for more details.
 
    You should have received a copy of the GNU General Public License
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Class
    Foam::thermo
 
Description
    Basic thermodynamics type based on the use of fitting functions for
    cp, h, s obtained from the template argument type thermo.  All other
    properties are derived from these primitive functions.
 
SourceFiles
    thermoI.H
    thermo.C
 
\*---------------------------------------------------------------------------*/
 
#ifndef thermo_H
#define thermo_H
 
#include "thermodynamicConstants.H"
using namespace Foam::constant::thermodynamic;
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
namespace Foam
{
namespace species
{
 
// Forward declaration of friend functions and operators
 
template<class Thermo, template<class> class Type> class thermo;
 
template<class Thermo, template<class> class Type>
inline thermo<Thermo, Type> operator+
(
    const thermo<Thermo, Type>&,
    const thermo<Thermo, Type>&
);
 
template<class Thermo, template<class> class Type>
inline thermo<Thermo, Type> operator*
(
    const scalar,
    const thermo<Thermo, Type>&
);
 
template<class Thermo, template<class> class Type>
inline thermo<Thermo, Type> operator==
(
    const thermo<Thermo, Type>&,
    const thermo<Thermo, Type>&
);
 
template<class Thermo, template<class> class Type>
Ostream& operator<<
(
    Ostream&,
    const thermo<Thermo, Type>&
);
 
 
/*---------------------------------------------------------------------------*\
                           Class thermo Declaration
\*---------------------------------------------------------------------------*/
 
template<class Thermo, template<class> class Type>
class thermo
:
    public Thermo,
    public Type<thermo<Thermo, Type>>
{
    // Private data
 
        //- Convergence tolerance of energy -> temperature inversion functions
        static const scalar tol_;
 
        //- Max number of iterations in energy->temperature inversion functions
        static const int maxIter_;
 
 
    // Private Member Functions
 
        //- Return the temperature corresponding to the value of the
        //  thermodynamic property f, given the function f = F(p, T)
        //  and dF(p, T)/dT
        inline scalar T
        (
            scalar f,
            scalar p,
            scalar T0,
            scalar (thermo::*F)(const scalar, const scalar) const,
            scalar (thermo::*dFdT)(const scalar, const scalar) const,
            scalar (thermo::*limit)(const scalar) const
        ) const;
 
 
public:
 
    //- The thermodynamics of the individual species'
    typedef thermo<Thermo, Type> thermoType;
 
 
    // Constructors
 
        //- Construct from components
        inline thermo(const Thermo& sp);
 
        //- Construct from dictionary
        thermo(const dictionary& dict);
 
        //- Construct as named copy
        inline thermo(const word& name, const thermo&);
 
 
    // Member Functions
 
        //- Return the instantiated type name
        static word typeName()
        {
            return
                  Thermo::typeName() + ','
                + Type<thermo<Thermo, Type>>::typeName();
        }
 
        //- Name of Enthalpy/Internal energy
        static inline word heName();
 
 
        // Fundamental properties
        // (These functions must be provided in derived types)
 
            // Heat capacity at constant pressure [J/(kg K)]
            // inline scalar Cp(const scalar p, const scalar T) const;
 
            // Sensible enthalpy [J/kg]
            // inline scalar Hs(const scalar p, const scalar T) const;
 
            // Chemical enthalpy [J/kg]
            // inline scalar Hc() const;
 
            // Absolute Enthalpy [J/kg]
            // inline scalar Ha(const scalar p, const scalar T) const;
 
            // Heat capacity at constant volume [J/(kg K)]
            // inline scalar Cv(const scalar p, const scalar T) const;
 
            // Sensible internal energy [J/kg]
            // inline scalar Es(const scalar p, const scalar T) const;
 
            // Absolute internal energy [J/kg]
            // inline scalar Ea(const scalar p, const scalar T) const;
 
            // Entropy [J/(kg K)]
            // inline scalar S(const scalar p, const scalar T) const;
 
 
        // Mass specific derived properties
 
 
            //- Heat capacity at constant pressure/volume [J/(kg K)]
            inline scalar Cpv(const scalar p, const scalar T) const;
 
            //- Gamma = Cp/Cv []
            inline scalar gamma(const scalar p, const scalar T) const;
 
            //- Ratio of heat capacity at constant pressure to that at
            //  constant pressure/volume []
            inline scalar CpByCpv(const scalar p, const scalar T) const;
 
            //- Enthalpy/Internal energy [J/kg]
            inline scalar HE(const scalar p, const scalar T) const;
 
            //- Gibbs free energy [J/kg]
            inline scalar G(const scalar p, const scalar T) const;
 
            //- Helmholtz free energy [J/kg]
            inline scalar A(const scalar p, const scalar T) const;
 
 
        // Mole specific derived properties
 
            //- Heat capacity at constant pressure [J/(kmol K)]
            inline scalar cp(const scalar p, const scalar T) const;
 
            //- Absolute Enthalpy [J/kmol]
            inline scalar ha(const scalar p, const scalar T) const;
 
            //- Sensible enthalpy [J/kmol]
            inline scalar hs(const scalar p, const scalar T) const;
 
            //- Chemical enthalpy [J/kmol]
            inline scalar hc() const;
 
            //- Entropy [J/(kmol K)]
            inline scalar s(const scalar p, const scalar T) const;
 
            //- Enthalpy/Internal energy [J/kmol]
            inline scalar he(const scalar p, const scalar T) const;
 
            //- Heat capacity at constant volume [J/(kmol K)]
            inline scalar cv(const scalar p, const scalar T) const;
 
            //- Sensible internal energy [J/kmol]
            inline scalar es(const scalar p, const scalar T) const;
 
            //- Absolute internal energy [J/kmol]
            inline scalar ea(const scalar p, const scalar T) const;
 
            //- Gibbs free energy [J/kmol]
            inline scalar g(const scalar p, const scalar T) const;
 
            //- Helmholtz free energy [J/kmol]
            inline scalar a(const scalar p, const scalar T) const;
 
 
        // Equilibrium reaction thermodynamics
 
            //- Equilibrium constant [] i.t.o fugacities
            //  = PIi(fi/Pstd)^nui
            inline scalar K(const scalar p, const scalar T) const;
 
            //- Equilibrium constant [] i.t.o. partial pressures
            //  = PIi(pi/Pstd)^nui
            //  For low pressures (where the gas mixture is near perfect) Kp = K
            inline scalar Kp(const scalar p, const scalar T) const;
 
            //- Equilibrium constant i.t.o. molar concentration
            //  = PIi(ci/cstd)^nui
            //  For low pressures (where the gas mixture is near perfect)
            //  Kc = Kp(pstd/(RR*T))^nu
            inline scalar Kc(const scalar p, const scalar T) const;
 
            //- Equilibrium constant [] i.t.o. mole-fractions
            //  For low pressures (where the gas mixture is near perfect)
            //  Kx = Kp(pstd/p)^nui
            inline scalar Kx
            (
                const scalar p,
                const scalar T
            ) const;
 
            //- Equilibrium constant [] i.t.o. number of moles
            //  For low pressures (where the gas mixture is near perfect)
            //  Kn = Kp(n*pstd/p)^nui where n = number of moles in mixture
            inline scalar Kn
            (
                const scalar p,
                const scalar T,
                const scalar n
            ) const;
 
 
        // Energy->temperature  inversion functions
 
            //- Temperature from enthalpy or internal energy
            //  given an initial temperature T0
            inline scalar THE
            (
                const scalar H,
                const scalar p,
                const scalar T0
            ) const;
 
            //- Temperature from sensible enthalpy given an initial T0
            inline scalar THs
            (
                const scalar Hs,
                const scalar p,
                const scalar T0
            ) const;
 
            //- Temperature from absolute enthalpy
            //  given an initial temperature T0
            inline scalar THa
            (
                const scalar H,
                const scalar p,
                const scalar T0
            ) const;
 
            //- Temperature from sensible internal energy
            //  given an initial temperature T0
            inline scalar TEs
            (
                const scalar E,
                const scalar p,
                const scalar T0
            ) const;
 
            //- Temperature from absolute internal energy
            //  given an initial temperature T0
            inline scalar TEa
            (
                const scalar E,
                const scalar p,
                const scalar T0
            ) const;
 
 
        // Derivative term used for Jacobian
 
            //- Derivative of B (acooding to Niemeyer et al.) w.r.t. temperature
            inline scalar dKcdTbyKc(const scalar p, const scalar T) const;
 
            //- Derivative of cp w.r.t. temperature
            inline scalar dcpdT(const scalar p, const scalar T) const;
 
 
        // I-O
 
            //- Write to Ostream
            void write(Ostream& os) const;
 
 
    // Member operators
 
        inline void operator+=(const thermo&);
        inline void operator*=(const scalar);
 
 
    // Friend operators
 
        friend thermo operator+ <Thermo, Type>
        (
            const thermo&,
            const thermo&
        );
 
        friend thermo operator* <Thermo, Type>
        (
            const scalar s,
            const thermo&
        );
 
        friend thermo operator== <Thermo, Type>
        (
            const thermo&,
            const thermo&
        );
 
 
    // Ostream Operator
 
        friend Ostream& operator<< <Thermo, Type>
        (
            Ostream&,
            const thermo&
        );
};
 
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
} // End namespace species
} // End namespace Foam
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#include "thermoI.H"
 
#ifdef NoRepository
    #include "thermo.C"
#endif
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#endif
 
// ************************************************************************* //