ChemicallyActivatedReactionRateI.H

Go to the documentation of this file.

/*---------------------------------------------------------------------------*\
  =========                 |
  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
   \\    /   O peration     | Website:  https://openfoam.org
    \\  /    A nd           | Copyright (C) 2011-2021 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.

    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/>.

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

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

template<class ReactionRate, class ChemicallyActivationFunction>
inline Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::ChemicallyActivatedReactionRate
(
    const ReactionRate& k0,
    const ReactionRate& kInf,
    const ChemicallyActivationFunction& F,
    const thirdBodyEfficiencies& tbes
)
:
    k0_(k0),
    kInf_(kInf),
    F_(F),
    thirdBodyEfficiencies_(tbes)
{
    forAll(tbes, i)
    {
        beta_.append(Tuple2<label, scalar>(i, tbes[i]));
    }
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::ChemicallyActivatedReactionRate
(
    const speciesTable& species,
    const dictionary& dict
)
:
    k0_(species, dict),
    kInf_(species, dict),
    F_(dict),
    thirdBodyEfficiencies_(species, dict)
{
    forAll(thirdBodyEfficiencies_, i)
    {
        beta_.append
        (
            Tuple2<label, scalar>
            (
                i,
                thirdBodyEfficiencies_[i]
            )
        );
    }
}


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

template<class ReactionRate, class ChemicallyActivationFunction>
inline void Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::preEvaluate() const
{
    k0_.preEvaluate();
    kInf_.preEvaluate();
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline void Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::postEvaluate() const
{
    k0_.postEvaluate();
    kInf_.postEvaluate();
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline Foam::scalar Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::operator()
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li
) const
{
    const scalar k0 = k0_(p, T, c, li);
    const scalar kInf = kInf_(p, T, c, li);
    const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;

    return k0*(1/(1 + Pr))*F_(T, Pr);
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline Foam::scalar Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::ddT
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li
) const
{
    const scalar k0 = k0_(p, T, c, li);
    const scalar kInf = kInf_(p, T, c, li);
    const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;

    return (1/(1 + Pr))*F_(T, Pr)*k0_.ddT(p, T, c, li);
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline void Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::dcidc
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li,
    scalarField& dcidc
) const
{
    const scalar M = thirdBodyEfficiencies_.M(c);

    if (M > small)
    {
        const scalar k0 = k0_(p, T, c, li);
        const scalar kInf = kInf_(p, T, c, li);

        const scalar Pr = k0*M/kInf;
        const scalar F = F_(T, Pr);

        forAll(beta_, i)
        {
            const scalar dPrdci = -beta_[i].second()*k0/kInf;
            const scalar dFdci = F_.ddc(Pr, F, dPrdci, T);
            dcidc[i] = (-dPrdci/(1 + Pr) + dFdci/F);
        }
    }
    else
    {
        forAll(beta_, i)
        {
            dcidc[i] = 0;
        }
    }
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline Foam::scalar Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::dcidT
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li
) const
{
    const scalar M = thirdBodyEfficiencies_.M(c);

    if (M > small)
    {
        const scalar k0 = k0_(p, T, c, li);
        const scalar kInf = kInf_(p, T, c, li);

        const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
        const scalar F = F_(T, Pr);
        const scalar dPrdT =
            Pr*(k0_.ddT(p, T, c, li)/k0 - kInf_.ddT(p, T, c, li)/kInf - 1/T);
        const scalar dFdT = F_.ddT(Pr, F, dPrdT, T);

        return (-dPrdT/(1 + Pr) + dFdT/F);
    }
    else
    {
        return 0;
    }
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline void Foam::ChemicallyActivatedReactionRate
<
    ReactionRate,
    ChemicallyActivationFunction
>::write(Ostream& os) const
{
    k0_.write(os);
    kInf_.write(os);
    F_.write(os);
    thirdBodyEfficiencies_.write(os);
}


template<class ReactionRate, class ChemicallyActivationFunction>
inline Foam::Ostream& Foam::operator<<
(
    Ostream& os,
    const ChemicallyActivatedReactionRate
        <ReactionRate, ChemicallyActivationFunction>& carr
)
{
    carr.write(os);
    return os;
}


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