eReactingFoam-4.x/diffusivityModel/N64/N64.H

/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     |
    \\  /    A nd           | Copyright (C) 2016 OpenFOAM Foundation
     \\/     M anipulation  |
-------------------------------------------------------------------------------
License
    This file is part of OpenFOAM.

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    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.

    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
    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
    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.

Class
    Foam::N64

Description

SourceFiles
    N64I.H
    N64.C
    N64IO.C

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

#ifndef N64_H
#define N64_H

#include "scalar.H"
#include "scalarField.H"
#include "Ion.H"
#include "Neutral.H"
#include "Interaction.H"

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

namespace Foam
{

// Forward declaration of classes
class Istream;
class Ostream;

// Forward declaration of friend functions and operators
class N64;
Istream& operator>>(Istream&, N64&);
Ostream& operator<<(Ostream&, const N64&);


/*---------------------------------------------------------------------------*\
                         Class N64 Declaration
\*---------------------------------------------------------------------------*/

class N64
    : public Interaction
{
    // Private data
    //
        //- Highest polynomial order of collision integral fitting formular
        static constexpr label M = 5;

        //- Collision participant ion a
        const Ion &a_;

        //- Collision participant neutral b
        const Neutral &b_;

        //- Combined well depth parameter
        scalar ksiij_;

        //- Combined collision diameter [A] (Angstrom)
        scalar sigmaij_;

        //- Combined collision circle area [m^2]
        scalar piSigmaSqr_;

        //- Combined well depth, /kB [K]
        scalar eij_;

        //- Combined dispersion coefficient, C6/(e^2) [A^5]
        scalar C6ij_;

        //- Collision integral parameter
        scalar gammaij_;

        //- Combined molecular weight
        scalar Wij_;

        //- Omega(1,1) Fit Coefficient with fixed gamma_ij
        scalarField b11_;

        //- Omega(2,2) Fit Coefficient with fixed gamma_ij
        scalarField b22_;


        //- Construct null
        static const scalar a11[(M+1)*(M+2)/2];

        static const scalar a22[(M+1)*(M+2)/2];

        // static scalar vec[(M+1)*(M+2)/2];
        static scalarField vec;

        //- Construct null
        static constexpr scalar K1 = 1.767;

        //- Construct null
        static constexpr scalar K2 = 0.720;

        //- Construct null
        static constexpr scalar kappa = 0.0095;

        //- Construct null
        static const scalar digamma3;

        //- Construct null
        static const scalar trigamma3;


    // Private Member Functions

        //- Disallow default bitwise copy construct
        N64(const N64&);

        //- Disallow default bitwise assignment
        void operator=(const N64&);

        // primary template
        template <label Order>
            struct UnivarPolyFeat
            {
                    static scalar transform (scalar x1, scalar *vec)
                    {
                        scalar highest = UnivarPolyFeat<Order-1>::transform(x1,vec) * x1;

                        *(vec+Order) = highest;

                        return highest;
                    }
            };

        // convenience function
        inline void transform (scalar x1, scalar *vec)
        {
            UnivarPolyFeat<M>::transform(x1,vec);
        }

        // primary template
        template <label Order>
            struct BivarPolyFeat
            {
                    static scalar *transform (scalar x1, scalar x2, scalar *vec)
                    {
                        scalar *src = BivarPolyFeat<Order-1>::transform(x1,x2,vec);

                        for (label i = 0; i < Order; i++)
                        {
                            *(src+Order+i) = *(src + i) * x1;
                        }

                        *(src+Order+Order) = *(src + (Order - 1)) * x2;

                        return src + Order;
                    }
            };

        // convenience function
        inline void transform (scalar x1, scalar x2, scalar *vec)
        {
            BivarPolyFeat<M>::transform(x1,x2,vec);
        }


        // primary template
        template <label N>
            struct ScalarProduct
            {
                static scalar product (const scalar* first, const scalar* second)
                {
                    return ScalarProduct<N-1>::product(first + 1, second + 1)
                        + *first * *second;
                }
            };

        // convenience function
        inline scalar scalarProduct (const scalar *x1, const scalar *x2)
        {
            return ScalarProduct<(M+1)*(M+2)/2>::product(x1,x2);
        }


public:

    // Static data members


    // Constructors

        //- Construct null
        N64();

        //- Construct from components
        N64(const Ion& a, const Neutral& b);

        //- Construct from Istream
        N64(Istream&);

        //- Construct as copy
        // N64(const N64&);


    //- Destructor
    ~N64();


    // Member Functions

        // Access

        // Check

        // Edit

        // Write

        inline scalar Omega11(const scalar T);


        inline scalar Omega22(const scalar T);


        inline scalar D(const scalar p, const scalar T);


        inline scalar mu(const scalar p, const scalar T);


        inline scalar k(const scalar p, const scalar T);


    // Member Operators


    // Friend Functions

    // Friend Operators

    // IOstream Operators

        friend Istream& operator>>(Istream&, N64&);
        friend Ostream& operator<<(Ostream&, const N64&);
};

// partial specialization as end criteria
template <>
class N64::UnivarPolyFeat<0>
{
    public:
        static scalar transform (scalar x1, scalar *vec)
        {
            *vec = 1.0;
            return 1.0;
        }
};

template <>
class N64::BivarPolyFeat<0>
{
    public:
        static scalar *transform (scalar x1, scalar x2, scalar *vec)
        {
            *vec = 1.0;
            return vec;
        }
};

template <>
struct N64::ScalarProduct<1>
{
    static scalar product (const scalar* first, const scalar* second) {
        return *first * *second;
    };
};


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

} // End namespace Foam

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

#include "N64I.H"

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

#endif

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