openfoam/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/interfaceCompositionModels/NonRandomTwoLiquid/NonRandomTwoLiquid.C

/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     |
    \\  /    A nd           | Copyright (C) 2015 OpenFOAM Foundation
     \\/     M anipulation  |
-------------------------------------------------------------------------------
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
    (at your option) any later version.

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    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/>.

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

#include "NonRandomTwoLiquid.H"

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

template<class Thermo, class OtherThermo>
Foam::interfaceCompositionModels::NonRandomTwoLiquid<Thermo, OtherThermo>::
NonRandomTwoLiquid
(
    const dictionary& dict,
    const phasePair& pair
)
:
    InterfaceCompositionModel<Thermo, OtherThermo>(dict, pair),
    gamma1_
    (
        IOobject
        (
            IOobject::groupName("gamma1", pair.name()),
            pair.phase1().mesh().time().timeName(),
            pair.phase1().mesh()
        ),
        pair.phase1().mesh(),
        dimensionedScalar("one", dimless, 1)
    ),
    gamma2_
    (
        IOobject
        (
            IOobject::groupName("gamma2", pair.name()),
            pair.phase1().mesh().time().timeName(),
            pair.phase1().mesh()
        ),
        pair.phase1().mesh(),
        dimensionedScalar("one", dimless, 1)
    ),
    beta12_("", dimless/dimTemperature, 0),
    beta21_("", dimless/dimTemperature, 0)
{
    if (this->speciesNames_.size() != 2)
    {
        FatalErrorIn
        (
            "template<class Thermo, class OtherThermo>"
            "Foam::interfaceCompositionModels::"
            "NonRandomTwoLiquid<Thermo, OtherThermo>::"
            "NonRandomTwoLiquid"
            "( "
                "const dictionary& dict, "
                "const phasePair& pair "
            ")"
        )   << "NonRandomTwoLiquid model is suitable for two species only."
            << exit(FatalError);
    }

    species1Name_ = this->speciesNames_[0];
    species2Name_ = this->speciesNames_[1];

    species1Index_ = this->thermo_.composition().species()[species1Name_];
    species2Index_ = this->thermo_.composition().species()[species2Name_];

    alpha12_ = dimensionedScalar
    (
        "alpha12",
        dimless,
        dict.subDict(species1Name_).lookup("alpha")
    );
    alpha21_ = dimensionedScalar
    (
        "alpha21",
        dimless,
        dict.subDict(species2Name_).lookup("alpha")
    );

    beta12_ = dimensionedScalar
    (
        "beta12",
        dimless/dimTemperature,
        dict.subDict(species1Name_).lookup("beta")
    );
    beta21_ = dimensionedScalar
    (
        "beta21",
        dimless/dimTemperature,
        dict.subDict(species2Name_).lookup("beta")
    );

    saturationModel12_.reset
    (
        saturationModel::New
        (
            dict.subDict(species1Name_).subDict("interaction")
        ).ptr()
    );
    saturationModel21_.reset
    (
        saturationModel::New
        (
            dict.subDict(species2Name_).subDict("interaction")
        ).ptr()
    );

    speciesModel1_.reset
    (
        interfaceCompositionModel::New
        (
            dict.subDict(species1Name_),
            pair
        ).ptr()
    );

    speciesModel2_.reset
    (
        interfaceCompositionModel::New
        (
            dict.subDict(species2Name_),
            pair
        ).ptr()
    );
}


// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //

template<class Thermo, class OtherThermo>
Foam::interfaceCompositionModels::NonRandomTwoLiquid<Thermo, OtherThermo>::
~NonRandomTwoLiquid()
{}


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

template<class Thermo, class OtherThermo>
void
Foam::interfaceCompositionModels::NonRandomTwoLiquid<Thermo, OtherThermo>::
update
(
    const volScalarField& Tf
)
{
    volScalarField W(this->thermo_.composition().W());

    volScalarField X1
    (
        this->thermo_.composition().Y(species1Index_)
       *W
       /this->thermo_.composition().W(species1Index_)
    );

    volScalarField X2
    (
        this->thermo_.composition().Y(species2Index_)
       *W
       /this->thermo_.composition().W(species2Index_)
    );

    volScalarField alpha12(alpha12_ + Tf*beta12_);
    volScalarField alpha21(alpha21_ + Tf*beta21_);

    volScalarField tau12(saturationModel12_->lnPSat(Tf));
    volScalarField tau21(saturationModel21_->lnPSat(Tf));

    volScalarField G12(exp(- alpha12*tau12));
    volScalarField G21(exp(- alpha21*tau21));

    gamma1_ =
        exp
        (
            sqr(X2)
           *(
                tau21*sqr(G21)/max(sqr(X1 + X2*G21), SMALL)
              + tau12*G12/max(sqr(X2 + X1*G12), SMALL)
            )
        );
    gamma2_ =
        exp
        (
            sqr(X1)
           *(
                tau12*sqr(G12)/max(sqr(X2 + X1*G12), SMALL)
              + tau21*G21/max(sqr(X1 + X2*G21), SMALL)
            )
        );
}


template<class Thermo, class OtherThermo>
Foam::tmp<Foam::volScalarField>
Foam::interfaceCompositionModels::NonRandomTwoLiquid<Thermo, OtherThermo>::Yf
(
    const word& speciesName,
    const volScalarField& Tf
) const
{
    if (speciesName == species1Name_)
    {
        return
            this->otherThermo_.composition().Y(speciesName)
           *speciesModel1_->Yf(speciesName, Tf)
           *gamma1_;
    }
    else if(speciesName == species2Name_)
    {
        return
            this->otherThermo_.composition().Y(speciesName)
           *speciesModel2_->Yf(speciesName, Tf)
           *gamma2_;
    }
    else
    {
        return
            this->thermo_.composition().Y(speciesName)
           *(scalar(1) - Yf(species1Name_, Tf) - Yf(species2Name_, Tf));
    }
}


template<class Thermo, class OtherThermo>
Foam::tmp<Foam::volScalarField>
Foam::interfaceCompositionModels::NonRandomTwoLiquid<Thermo, OtherThermo>::
YfPrime
(
    const word& speciesName,
    const volScalarField& Tf
) const
{
    if (speciesName == species1Name_)
    {
        return
            this->otherThermo_.composition().Y(speciesName)
           *speciesModel1_->YfPrime(speciesName, Tf)
           *gamma1_;
    }
    else if(speciesName == species2Name_)
    {
        return
            this->otherThermo_.composition().Y(speciesName)
           *speciesModel2_->YfPrime(speciesName, Tf)
           *gamma2_;
    }
    else
    {
        return
          - this->thermo_.composition().Y(speciesName)
           *(YfPrime(species1Name_, Tf) + YfPrime(species2Name_, Tf));
    }
}


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