FallOffReactionRateI.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) 2011-2024 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/>.
 
\*---------------------------------------------------------------------------*/
 
#include "FallOffReactionRate.H"
 
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
#define FALL_OFF_FUNCTION_JACOBIAN false
 
// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
template<class ReactionRate, class FallOffFunction>
inline Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::
FallOffReactionRate
(
    const ReactionRate& k0,
    const ReactionRate& kInf,
    const FallOffFunction& F,
    const thirdBodyEfficiencies& tbes
)
:
    k0_(k0),
    kInf_(kInf),
    F_(F),
    thirdBodyEfficiencies_(tbes)
{}
 
 
template<class ReactionRate, class FallOffFunction>
inline Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::
FallOffReactionRate
(
    const speciesTable& species,
    const dimensionSet& dims,
    const dictionary& dict
)
:
    k0_(species, dims, dict.subDict("k0")),
    kInf_(species, dims, dict.subDict("kInf")),
    F_(dict.subDict("F")),
    thirdBodyEfficiencies_(species, dict.subDict("thirdBodyEfficiencies"))
{}
 
 
// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
template<class ReactionRate, class FallOffFunction>
inline void
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::preEvaluate() const
{
    k0_.preEvaluate();
    kInf_.preEvaluate();
}
 
 
template<class ReactionRate, class FallOffFunction>
inline void
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::postEvaluate() const
{
    k0_.postEvaluate();
    kInf_.postEvaluate();
}
 
 
template<class ReactionRate, class FallOffFunction>
inline Foam::scalar
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::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 M = thirdBodyEfficiencies_.M(c);
    const scalar Pr = k0/kInf*M;
    const scalar F = F_(T, Pr);
 
    return kInf*(Pr/(1 + Pr))*F;
}
 
 
template<class ReactionRate, class FallOffFunction>
inline Foam::scalar
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::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 M = thirdBodyEfficiencies_.M(c);
    const scalar Pr = k0/kInf*M;
    const scalar F = F_(T, Pr);
 
    const scalar dkInfdT = kInf_.ddT(p, T, c, li);
 
    #if FALL_OFF_FUNCTION_JACOBIAN
 
    const scalar dk0dT = k0_.ddT(p, T, c, li);
    const scalar dPrdT = (M*dk0dT - Pr*dkInfdT)/kInf;
    const scalar dFdT = F_.ddT(T, Pr, F) + F_.ddPr(T, Pr, F)*dPrdT;
 
    return
        dkInfdT*(Pr/(1 + Pr))*F
      + kInf*dPrdT/sqr(1 + Pr)*F
      + kInf*(Pr/(1 + Pr))*dFdT;
 
    #else
 
    return dkInfdT*(Pr/(1 + Pr))*F;
 
    #endif
}
 
 
template<class ReactionRate, class FallOffFunction>
inline bool
Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::hasDdc() const
{
    return true;
}
 
 
template<class ReactionRate, class FallOffFunction>
inline void Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::ddc
(
    const scalar p,
    const scalar T,
    const scalarField& c,
    const label li,
    scalarField& ddc
) const
{
    const scalar k0 = k0_(p, T, c, li);
    const scalar kInf = kInf_(p, T, c, li);
    const scalar M = thirdBodyEfficiencies_.M(c);
    const scalar Pr = k0/kInf*M;
    const scalar F = F_(T, Pr);
 
    #if FALL_OFF_FUNCTION_JACOBIAN
 
    scalarField dk0dc(c.size(), 0);
    k0_.ddc(p, T, c, li, dk0dc);
    scalarField dkInfdc(c.size(), 0);
    kInf_.ddc(p, T, c, li, dkInfdc);
    tmp<scalarField> tdMdc = thirdBodyEfficiencies_.dMdc(c);
    const scalarField& dMdc = tdMdc();
    scalarField dPrdc((M*dk0dc - Pr*dkInfdc + k0*dMdc)/kInf);
    const scalar dFdPr = F_.ddPr(T, Pr, F);
 
    ddc =
        dkInfdc*(Pr/(1 + Pr))*F
      + kInf*dPrdc/sqr(1 + Pr)*F
      + kInf*(Pr/(1 + Pr))*dFdPr*dPrdc;
 
    #else
 
    kInf_.ddc(p, T, c, li, ddc);
 
    ddc *= (Pr/(1 + Pr))*F;
 
    #endif
}
 
 
template<class ReactionRate, class FallOffFunction>
inline void Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::write
(
    Ostream& os
) const
{
    os  << indent << "k0" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    k0_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;
 
    os  << indent << "kInf" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    kInf_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;
 
    os  << indent << "F" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    F_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;
 
    os  << indent << "thirdBodyEfficiencies" << nl;
    os  << indent << token::BEGIN_BLOCK << nl;
    os  << incrIndent;
    thirdBodyEfficiencies_.write(os);
    os  << decrIndent;
    os  << indent << token::END_BLOCK << nl;
}
 
 
template<class ReactionRate, class FallOffFunction>
inline Foam::Ostream& Foam::operator<<
(
    Ostream& os,
    const FallOffReactionRate<ReactionRate, FallOffFunction>& forr
)
{
    forr.write(os);
    return os;
}
 
 
// ************************************************************************* //