basicSpecieMixture.H

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License
    This file is part of OpenFOAM.

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Class
    Foam::basicSpecieMixture

Description
    Specialisation of basicMixture for a mixture consisting of a number for
    molecular species.

SourceFiles
    basicSpecieMixture.C

\*---------------------------------------------------------------------------*/

#ifndef basicSpecieMixture_H
#define basicSpecieMixture_H

#include "volFields.H"
#include "PtrList.H"
#include "basicMixture.H"
#include "speciesTable.H"

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

namespace Foam
{

/*---------------------------------------------------------------------------*\
                     Class basicSpecieMixture Declaration
\*---------------------------------------------------------------------------*/

class basicSpecieMixture
:
    public basicMixture
{

protected:

    // Protected data

        //- Phase-name
        const word& phaseName_;

        //- Table of specie names
        speciesTable species_;

        //- The name of the default specie
        //  The mass fraction of which is derived from the other species
        //  rather than solved.
        //  Also used as the carrier specie in multicomponent diffusion
        word defaultSpecie_;

        //- The index of the default specie
        label defaultSpecieIndex_;

        //- List of specie active flags
        mutable List<bool> active_;

        //- Species mass fractions
        PtrList<volScalarField> Y_;


    // Protected Member Functions

        //- Scale the mass fractions to sum to 1
        void correctMassFractions();


public:

    //- Run time type information
    TypeName("basicSpecieMixture");

    //- The base class of the mixture
    typedef basicSpecieMixture basicMixtureType;


    // Constructors

        //- Construct from dictionary, species names, mesh and phase name
        basicSpecieMixture
        (
            const dictionary&,
            const wordList& specieNames,
            const fvMesh&,
            const word&
        );


    //- Destructor
    virtual ~basicSpecieMixture()
    {}


    // Member Functions

        //- Return the table of species
        inline const speciesTable& species() const;

        //- Does the mixture include this specie?
        inline bool contains(const word& specieName) const;

        //- Return the index of the default specie
        inline label defaultSpecie() const;

        //- Return true for active species
        inline bool active(label speciei) const;

        //- Return the bool list of active species
        inline const List<bool>& active() const;

        //- Set speciei active
        inline void setActive(label speciei) const;

        //- Set speciei inactive
        inline void setInactive(label speciei) const;

        //- Return true if the specie should be solved for
        //  i.e. active and not the default specie
        inline bool solve(label speciei) const;

        //- Return the mass-fraction fields
        inline PtrList<volScalarField>& Y();

        //- Return the const mass-fraction fields
        inline const PtrList<volScalarField>& Y() const;

        //- Return the mass-fraction field for a specie given by index
        inline volScalarField& Y(const label i);

        //- Return the const mass-fraction field for a specie given by index
        inline const volScalarField& Y(const label i) const;

        //- Return the mass-fraction field for a specie given by name
        inline volScalarField& Y(const word& specieName);

        //- Return the const mass-fraction field for a specie given by name
        inline const volScalarField& Y(const word& specieName) const;

        //- Return the specie index of the given mass-fraction field
        inline label index(const volScalarField& Yi) const;

        //- Normalise the mass fractions
        //  by clipping positive
        //  and deriving the default specie mass fraction from the other species
        void normalise();


        // Specie properties

            //- Molecular weight of the given specie [kg/kmol]
            virtual scalar Wi(const label speciei) const = 0;

            //- Enthalpy of formation [J/kg]
            virtual scalar Hf(const label speciei) const = 0;


        // Specie thermo properties

            //- Density [kg/m^3]
            virtual scalar rho
            (
                const label speciei,
                const scalar p,
                const scalar T
            ) const = 0;

            //- Density [kg/m^3]
            virtual tmp<volScalarField> rho
            (
                const label speciei,
                const volScalarField& p,
                const volScalarField& T
            ) const = 0;

            //- Heat capacity at constant pressure [J/kg/K]
            virtual scalar Cp
            (
                const label speciei,
                const scalar p,
                const scalar T
            ) const = 0;

            //- Heat capacity at constant pressure [J/kg/K]
            virtual tmp<volScalarField> Cp
            (
                const label speciei,
                const volScalarField& p,
                const volScalarField& T
            ) const = 0;

            //- Enthalpy/Internal energy [J/kg]
            virtual scalar HE
            (
                const label speciei,
                const scalar p,
                const scalar T
            ) const = 0;

            //- Enthalpy/Internal energy [J/kg]
            virtual tmp<scalarField> HE
            (
                const label speciei,
                const scalarField& p,
                const scalarField& T
            ) const = 0;

            //- Enthalpy/Internal energy [J/kg]
            virtual tmp<volScalarField> HE
            (
                const label speciei,
                const volScalarField& p,
                const volScalarField& T
            ) const = 0;

            //- Sensible enthalpy [J/kg]
            virtual scalar Hs
            (
                const label speciei,
                const scalar p,
                const scalar T
            ) const = 0;

            //- Sensible enthalpy [J/kg]
            virtual tmp<scalarField> Hs
            (
                const label speciei,
                const scalarField& p,
                const scalarField& T
            ) const = 0;

            //- Sensible enthalpy [J/kg]
            virtual tmp<volScalarField> Hs
            (
                const label speciei,
                const volScalarField& p,
                const volScalarField& T
            ) const = 0;

            //- Absolute enthalpy [J/kg]
            virtual scalar Ha
            (
                const label speciei,
                const scalar p,
                const scalar T
            ) const = 0;

            //- Enthalpy/Internal energy [J/kg]
            virtual tmp<scalarField> Ha
            (
                const label speciei,
                const scalarField& p,
                const scalarField& T
            ) const = 0;

            //- Absolute enthalpy [J/kg]
            virtual tmp<volScalarField> Ha
            (
                const label speciei,
                const volScalarField& p,
                const volScalarField& T
            ) const = 0;


        // Specie transport properties

            //- Dynamic viscosity [kg/m/s]
            virtual scalar mu
            (
                const label speciei,
                const scalar p,
                const scalar T
            ) const = 0;

            //- Dynamic viscosity [kg/m/s]
            virtual tmp<volScalarField> mu
            (
                const label speciei,
                const volScalarField& p,
                const volScalarField& T
            ) const = 0;

            //- Thermal conductivity [W/m/K]
            virtual scalar kappa
            (
                const label speciei,
                const scalar p,
                const scalar T
            ) const = 0;

            //- Thermal conductivity [W/m/K]
            virtual tmp<volScalarField> kappa
            (
                const label speciei,
                const volScalarField& p,
                const volScalarField& T
            ) const = 0;
};


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

} // End namespace Foam

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

#include "basicSpecieMixtureI.H"

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

#endif

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