OpenFOAM-12/applications/solvers/multiphase/reactingEulerFoam/phaseSystems/PhaseSystems/InterfaceCompositionPhaseChangePhaseSystem/InterfaceCompositionPhaseChangePhaseSystem.C

/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     |
    \\  /    A nd           | Copyright (C) 2015-2018 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
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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
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\*---------------------------------------------------------------------------*/

#include "InterfaceCompositionPhaseChangePhaseSystem.H"
#include "interfaceCompositionModel.H"
#include "massTransferModel.H"


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

template<class BasePhaseSystem>
Foam::tmp<Foam::volScalarField>
Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::iDmdt
(
    const phasePairKey& key
) const
{
    if (!iDmdt_.found(key))
    {
        return phaseSystem::dmdt(key);
    }

    const scalar dmdtSign(Pair<word>::compare(iDmdt_.find(key).key(), key));

    return dmdtSign**iDmdt_[key];
}



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

template<class BasePhaseSystem>
Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::
InterfaceCompositionPhaseChangePhaseSystem
(
    const fvMesh& mesh
)
:
    BasePhaseSystem(mesh)
{
    this->generatePairsAndSubModels
    (
        "interfaceComposition",
        interfaceCompositionModels_
    );

    this->generatePairsAndSubModels
    (
        "massTransfer",
        massTransferModels_,
        false
    );

    // Check that models have been specified in the correct combinations
    forAllConstIter
    (
        interfaceCompositionModelTable,
        interfaceCompositionModels_,
        interfaceCompositionModelIter
    )
    {
        const phasePair& pair =
            this->phasePairs_[interfaceCompositionModelIter.key()];

        if (!pair.ordered())
        {
            FatalErrorInFunction
                << "An interfacial composition model is specified for the "
                << "unordered " << pair << " pair. Composition models only "
                << "apply to ordered pairs. A entry for an "
                << phasePairKey("A", "B", true) << " pair means a model for "
                << "the A side of the A-B interface; i.e., \"A in the presence "
                << "of B\""
                << exit(FatalError);
        }

        const phasePairKey key(pair.phase1().name(), pair.phase2().name());

        if (!massTransferModels_[key][pair.index(pair.phase1())].valid())
        {
            FatalErrorInFunction
                << "A species transfer model for the " << pair.phase1().name()
                << " side of the " << key << " pair is not specified. This is "
                << "required by the corresponding interface composition model."
                << exit(FatalError);
        }
    }
    forAllConstIter
    (
        massTransferModelTable,
        massTransferModels_,
        massTransferModelIter
    )
    {
        const phasePair& pair =
            this->phasePairs_[massTransferModelIter.key()];

        if (!this->heatTransferModels_.found(pair))
        {
             FatalErrorInFunction
                 << "A Heat transfer model for " << pair << " pair is not "
                 << "specified. This is required by the corresponding species "
                 << "transfer model"
                 << exit(FatalError);
        }
    }

    // Generate mass transfer fields, set to zero
    forAllConstIter
    (
        phaseSystem::phasePairTable,
        this->phasePairs_,
        phasePairIter
    )
    {
        const phasePair& pair(phasePairIter());

        if (pair.ordered())
        {
            continue;
        }

        // Initially assume no mass transfer
        iDmdt_.insert
        (
            pair,
            new volScalarField
            (
                IOobject
                (
                    IOobject::groupName("iDmdt", pair.name()),
                    this->mesh().time().timeName(),
                    this->mesh(),
                    IOobject::READ_IF_PRESENT,
                    IOobject::AUTO_WRITE
                ),
                this->mesh(),
                dimensionedScalar("zero", dimDensity/dimTime, 0)
            )
        );

        iDmdtExplicit_.insert
        (
            pair,
            new volScalarField
            (
                IOobject
                (
                    IOobject::groupName("iDmdtExplicit", pair.name()),
                    this->mesh().time().timeName(),
                    this->mesh()
                ),
                this->mesh(),
                dimensionedScalar("zero", dimDensity/dimTime, 0)
            )
        );
    }
}


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

template<class BasePhaseSystem>
Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::
~InterfaceCompositionPhaseChangePhaseSystem()
{}


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

template<class BasePhaseSystem>
Foam::tmp<Foam::volScalarField>
Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::dmdt
(
    const phasePairKey& key
) const
{
    return BasePhaseSystem::dmdt(key) + this->iDmdt(key);
}


template<class BasePhaseSystem>
Foam::Xfer<Foam::PtrList<Foam::volScalarField>>
Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::dmdts() const
{
    PtrList<volScalarField> dmdts(BasePhaseSystem::dmdts());

    forAllConstIter(iDmdtTable, iDmdt_, iDmdtIter)
    {
        const phasePair& pair = this->phasePairs_[iDmdtIter.key()];
        const volScalarField& iDmdt = *iDmdtIter();

        this->addField(pair.phase1(), "dmdt", iDmdt, dmdts);
        this->addField(pair.phase2(), "dmdt", - iDmdt, dmdts);
    }

    return dmdts.xfer();
}


template<class BasePhaseSystem>
Foam::autoPtr<Foam::phaseSystem::massTransferTable>
Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::
massTransfer() const
{
    autoPtr<phaseSystem::massTransferTable> eqnsPtr =
        BasePhaseSystem::massTransfer();

    phaseSystem::massTransferTable& eqns = eqnsPtr();

    // Reset the interfacial mass flow rates
    forAllConstIter
    (
        phaseSystem::phasePairTable,
        this->phasePairs_,
        phasePairIter
    )
    {
        const phasePair& pair(phasePairIter());

        if (pair.ordered())
        {
            continue;
        }

        *this->iDmdt_[pair] =
            *this->iDmdtExplicit_[pair];

        *this->iDmdtExplicit_[pair] =
            dimensionedScalar("zero", dimDensity/dimTime, 0);
    }

    // Sum up the contribution from each interface composition model
    forAllConstIter
    (
        interfaceCompositionModelTable,
        interfaceCompositionModels_,
        interfaceCompositionModelIter
    )
    {
        const interfaceCompositionModel& compositionModel
        (
            interfaceCompositionModelIter()
        );

        const phasePair& pair =
            this->phasePairs_[interfaceCompositionModelIter.key()];
        const phaseModel& phase = pair.phase1();
        const phaseModel& otherPhase = pair.phase2();
        const phasePairKey key(phase.name(), otherPhase.name());

        const volScalarField& Tf(*this->Tf_[key]);

        volScalarField& iDmdtExplicit_(*this->iDmdtExplicit_[key]);
        volScalarField& iDmdt_(*this->iDmdt_[key]);

        scalar dmdtSign(Pair<word>::compare(this->iDmdt_.find(key).key(), key));

        const volScalarField K
        (
            massTransferModels_[key][pair.index(phase)]->K()
        );

        forAllConstIter
        (
            hashedWordList,
            compositionModel.species(),
            memberIter
        )
        {
            const word& member = *memberIter;

            const word name
            (
                IOobject::groupName(member, phase.name())
            );

            const word otherName
            (
                IOobject::groupName(member, otherPhase.name())
            );

            const volScalarField KD
            (
                K*compositionModel.D(member)
            );

            const volScalarField Yf
            (
                compositionModel.Yf(member, Tf)
            );

            // Implicit transport through the phase
            *eqns[name] +=
                phase.rho()*KD*Yf
              - fvm::Sp(phase.rho()*KD, eqns[name]->psi());

            // Sum the mass transfer rate
            iDmdtExplicit_ += dmdtSign*phase.rho()*KD*Yf;
            iDmdt_ -= dmdtSign*phase.rho()*KD*eqns[name]->psi();

            // Explicit transport out of the other phase
            if (eqns.found(otherName))
            {
                *eqns[otherName] -=
                    otherPhase.rho()*KD*compositionModel.dY(member, Tf);
            }
        }
    }

    return eqnsPtr;
}


template<class BasePhaseSystem>
void Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::
correctInterfaceThermo()
{
    // This loop solves for the interface temperatures, Tf, and updates the
    // interface composition models.
    //
    // The rate of heat transfer to the interface must equal the latent heat
    // consumed at the interface, i.e.:
    //
    // H1*(T1 - Tf) + H2*(T2 - Tf) == mDotL
    //                             == K*rho*(Yfi - Yi)*Li
    //
    // Yfi is likely to be a strong non-linear (typically exponential) function
    // of Tf, so the solution for the temperature is newton-accelerated

    forAllConstIter
    (
        massTransferModelTable,
        massTransferModels_,
        massTransferModelIter
    )
    {
        const phasePair& pair =
            this->phasePairs_[massTransferModelIter.key()];

        const phasePairKey key12(pair.first(), pair.second(), true);
        const phasePairKey key21(pair.second(), pair.first(), true);

        volScalarField H1(this->heatTransferModels_[pair].first()->K());
        volScalarField H2(this->heatTransferModels_[pair].second()->K());
        dimensionedScalar HSmall("small", heatTransferModel::dimK, small);

        volScalarField mDotL
        (
            IOobject
            (
                "mDotL",
                this->mesh().time().timeName(),
                this->mesh()
            ),
            this->mesh(),
            dimensionedScalar("zero", dimEnergy/dimVolume/dimTime, 0)
        );
        volScalarField mDotLPrime
        (
            IOobject
            (
                "mDotLPrime",
                this->mesh().time().timeName(),
                this->mesh()
            ),
            this->mesh(),
            dimensionedScalar("zero", mDotL.dimensions()/dimTemperature, 0)
        );

        volScalarField& Tf = *this->Tf_[pair];

        // Add latent heats from forward and backward models
        if (this->interfaceCompositionModels_.found(key12))
        {
            this->interfaceCompositionModels_[key12]->addMDotL
            (
                massTransferModelIter().first()->K(),
                Tf,
                mDotL,
                mDotLPrime
            );
        }
        if (this->interfaceCompositionModels_.found(key21))
        {
            this->interfaceCompositionModels_[key21]->addMDotL
            (
                massTransferModelIter().second()->K(),
                Tf,
                mDotL,
                mDotLPrime
            );
        }

        // Update the interface temperature by applying one step of newton's
        // method to the interface relation
        Tf -=
            (
                H1*(Tf - pair.phase1().thermo().T())
              + H2*(Tf - pair.phase2().thermo().T())
              + mDotL
            )
           /(
                max(H1 + H2 + mDotLPrime, HSmall)
            );

        Tf.correctBoundaryConditions();

        Info<< "Tf." << pair.name()
            << ": min = " << min(Tf.primitiveField())
            << ", mean = " << average(Tf.primitiveField())
            << ", max = " << max(Tf.primitiveField())
            << endl;

        // Update the interface compositions
        if (this->interfaceCompositionModels_.found(key12))
        {
            this->interfaceCompositionModels_[key12]->update(Tf);
        }
        if (this->interfaceCompositionModels_.found(key21))
        {
            this->interfaceCompositionModels_[key21]->update(Tf);
        }
    }
}


template<class BasePhaseSystem>
bool Foam::InterfaceCompositionPhaseChangePhaseSystem<BasePhaseSystem>::read()
{
    if (BasePhaseSystem::read())
    {
        bool readOK = true;

        // Models ...

        return readOK;
    }
    else
    {
        return false;
    }
}


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