data/src/reactionModels/FSD/FSD.C

/*---------------------------------------------------------------------------*\
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-------------------------------------------------------------------------------
License
    This file is part of OpenFOAM.

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    under the terms of the GNU General Public License as published by
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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.

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

#include "FSD.H"
#include "addToRunTimeSelectionTable.H"
#include "LESModel.H"
#include "fviGrad.H"
#include "fviDiv.H"
#include "addToRunTimeSelectionTable.H"


// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //

namespace Foam
{
namespace reactionModels
{
    defineTypeNameAndDebug(FSD, 0);
    addToRunTimeSelectionTable(reactionModel, FSD, dictionary);
}
}


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

Foam::reactionModels::FSD::FSD
(
    const word& modelType,
    const fluidMulticomponentThermo& thermo,
    const compressibleMomentumTransportModel& turb,
    const word& reactionProperties
)
:
    singleStepReaction
    (
        modelType,
        thermo,
        turb,
        reactionProperties
    ),
    reactionRateFlameArea_
    (
        reactionRateFlameArea::New
        (
            this->coeffs(),
            this->mesh(),
            *this
        )
    ),
    ft_
    (
        IOobject
        (
            this->thermo().phasePropertyName("ft"),
            this->mesh().time().name(),
            this->mesh(),
            IOobject::NO_READ,
            IOobject::AUTO_WRITE
        ),
        this->mesh(),
        dimensionedScalar(dimless, 0)
    ),
    YFuelFuelStream_(dimensionedScalar(dimless, 1.0)),
    YO2OxiStream_(dimensionedScalar(dimless, 0.23)),
    Cv_(this->coeffs().template lookup<scalar>("Cv")),
    C_(5),
    ftMin_(0),
    ftMax_(1),
    ftDim_(300),
    ftVarMin_(this->coeffs().template lookup<scalar>("ftVarMin"))
{}


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

Foam::reactionModels::FSD::~FSD()
{}


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

void Foam::reactionModels::FSD::calculateSourceNorm()
{
    this->fresCorrect();

    const label fuelI = this->fuelIndex();

    const volScalarField& YFuel = this->thermo().Y()[fuelI];

    const volScalarField& YO2 = this->thermo().Y("O2");

    const dimensionedScalar s = this->s();

    ft_ =
        (s*YFuel - (YO2 - YO2OxiStream_))/(s*YFuelFuelStream_ + YO2OxiStream_);


    volInternalVectorField nft(fvi::grad(ft_));

    volInternalScalarField mgft(mag(nft));

    const volInternalScalarField cAux(scalar(1) - ft_());

    const dimensionedScalar dMgft = 1e-3*
        sum(ft_()*cAux*mgft*this->mesh().V())
       /(
            sum(ft_()*cAux*this->mesh().V())
          + dimensionedScalar(dimVolume, rootVSmall)
        )
      + dimensionedScalar(mgft.dimensions(), small);

    mgft += dMgft;

    nft /= mgft;

    const volVectorField& U = YO2.db().lookupObject<volVectorField>("U");

    const volInternalScalarField sigma
    (
        (nft & nft)*fvi::div(U) - (nft & fvi::grad(U) & nft)
    );

    reactionRateFlameArea_->correct(sigma);

    const volScalarField& omegaFuel = reactionRateFlameArea_->omega();

    const scalar ftStoich =
        YO2OxiStream_.value()
       /(
            s.value()*YFuelFuelStream_.value() + YO2OxiStream_.value()
        );

    tmp<volScalarField> tPc
    (
        volScalarField::New
        (
            this->thermo().phasePropertyName("Pc"),
            U.mesh(),
            dimensionedScalar(dimless, 0)
        )
    );

    volScalarField& pc = tPc.ref();

    tmp<volScalarField> tomegaFuel
    (
        volScalarField::New
        (
            this->thermo().phasePropertyName("omegaFuelBar"),
            U.mesh(),
            dimensionedScalar(omegaFuel.dimensions(), 0)
        )
    );

    volScalarField& omegaFuelBar = tomegaFuel.ref();

    // Calculation of the mixture fraction variance (ftVar)
    const compressible::LESModel& lesModel =
        YO2.db().lookupObject<compressible::LESModel>
        (
            momentumTransportModel::typeName
        );

    const volInternalScalarField& delta = lesModel.delta();
    const volInternalScalarField ftVar(Cv_*sqr(delta)*sqr(mgft));

    // Thickened flame (average flame thickness for counterflow configuration
    // is 1.5 mm)

    const volScalarField deltaF
    (
        lesModel.delta()/dimensionedScalar(dimensions::length, 1.5e-3)
    );

    // Linear correlation between delta and flame thickness
    const volScalarField omegaF(max(deltaF*(4.0/3.0) + (2.0/3.0), scalar(1)));

    const scalar deltaFt = 1/ftDim_;

    forAll(ft_, celli)
    {
        if (ft_[celli] > ftMin_ && ft_[celli] < ftMax_)
        {
            const scalar ftCell = ft_[celli];

            if (ftVar[celli] > ftVarMin_) // sub-grid beta pdf of ft_
            {
                const scalar ftVarc = ftVar[celli];
                const scalar a =
                    max(ftCell*(ftCell*(1 - ftCell)/ftVarc - 1), 0);
                const scalar b = max(a/ftCell - a, 0);

                for (int i=1; i<ftDim_; i++)
                {
                    const scalar ft = i*deltaFt;
                    pc[celli] += pow(ft, a - 1)*pow(1 - ft, b - 1)*deltaFt;
                }

                for (int i=1; i<ftDim_; i++)
                {
                    const scalar ft = i*deltaFt;
                    omegaFuelBar[celli] +=
                        omegaFuel[celli]/omegaF[celli]
                       *exp
                        (
                           -sqr(ft - ftStoich)
                           /(2*sqr(0.01*omegaF[celli]))
                        )
                       *pow(ft, a - 1)
                       *pow(1 - ft, b - 1)
                       *deltaFt;
                }
                omegaFuelBar[celli] /= max(pc[celli], 1e-4);
            }
            else
            {
                omegaFuelBar[celli] =
                   omegaFuel[celli]/omegaF[celli]
                  *exp(-sqr(ftCell - ftStoich)/(2*sqr(0.01*omegaF[celli])));
            }
        }
        else
        {
            omegaFuelBar[celli] = 0;
        }
    }


    // Reaction progress variable, c

    List<label> productsIndex(2, label(-1));
    {
        label i = 0;
        forAll(this->specieProd(), specieI)
        {
            if (this->specieProd()[specieI] < 0)
            {
                productsIndex[i] = specieI;
                i++;
            }
        }
    }


    // Flamelet probability of the progress c based on IFC (reuse pc)
    scalar YprodTotal = 0;
    forAll(productsIndex, j)
    {
        YprodTotal += this->Yprod0()[productsIndex[j]];
    }

    forAll(ft_, celli)
    {
        if (ft_[celli] < ftStoich)
        {
            pc[celli] = ft_[celli]*(YprodTotal/ftStoich);
        }
        else
        {
            pc[celli] = (1 - ft_[celli])*(YprodTotal/(1 - ftStoich));
        }
    }

    tmp<volScalarField> tproducts
    (
        volScalarField::New
        (
            this->thermo().phasePropertyName("products"),
            U.mesh(),
            dimensionedScalar(dimless, 0)
        )
    );

    volScalarField& products = tproducts.ref();

    forAll(productsIndex, j)
    {
        const label specieI = productsIndex[j];
        const volScalarField& Yp = this->thermo().Y()[specieI];
        products += Yp;
    }

    volScalarField c
    (
        max(scalar(1) - products/max(pc, scalar(1e-5)), scalar(0))
    );

    pc = min(C_*c, scalar(1));

    const volScalarField fres(this->fres(fuelI));

    this->wFuel_ = mgft*pc()*omegaFuelBar();
}


void Foam::reactionModels::FSD::correct()
{
    this->wFuel_ = dimensionedScalar(dimensions::density/dimensions::time, 0);

    calculateSourceNorm();
}


bool Foam::reactionModels::FSD::read()
{
    if (singleStepReaction::read())
    {
        this->coeffs().lookup("Cv") >> Cv_ ;
        this->coeffs().lookup("ftVarMin") >> ftVarMin_;
        reactionRateFlameArea_->read(this->coeffs());
        return true;
    }
    else
    {
        return false;
    }
}


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