/usr/include/freefoam/chemistryModel/EulerImplicit.C is in libfreefoam-dev 0.1.0+dfsg-1build1.
This file is owned by root:root, with mode 0o644.
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========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
\\/ 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 "EulerImplicit.H"
#include <OpenFOAM/addToRunTimeSelectionTable.H>
#include <OpenFOAM/simpleMatrix.H>
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template<class CompType, class ThermoType>
Foam::EulerImplicit<CompType, ThermoType>::EulerImplicit
(
ODEChemistryModel<CompType, ThermoType>& model,
const word& modelName
)
:
chemistrySolver<CompType, ThermoType>(model, modelName),
coeffsDict_(model.subDict(modelName + "Coeffs")),
cTauChem_(readScalar(coeffsDict_.lookup("cTauChem"))),
equil_(coeffsDict_.lookup("equilibriumRateLimiter"))
{}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
template<class CompType, class ThermoType>
Foam::EulerImplicit<CompType, ThermoType>::~EulerImplicit()
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template<class CompType, class ThermoType>
Foam::scalar Foam::EulerImplicit<CompType, ThermoType>::solve
(
scalarField &c,
const scalar T,
const scalar p,
const scalar t0,
const scalar dt
) const
{
scalar pf, cf, pr, cr;
label lRef, rRef;
label nSpecie = this->model_.nSpecie();
simpleMatrix<scalar> RR(nSpecie, 0.0, 0.0);
for (label i=0; i<nSpecie; i++)
{
c[i] = max(0.0, c[i]);
}
for (label i=0; i<nSpecie; i++)
{
RR.source()[i] = c[i]/dt;
}
for (label i=0; i<this->model_.reactions().size(); i++)
{
const Reaction<ThermoType>& R = this->model_.reactions()[i];
scalar omegai = this->model_.omega
(
R, c, T, p, pf, cf, lRef, pr, cr, rRef
);
scalar corr = 1.0;
if (equil_)
{
if (omegai<0.0)
{
corr = 1.0/(1.0 + pr*dt);
}
else
{
corr = 1.0/(1.0 + pf*dt);
}
}
for (label s=0; s<R.lhs().size(); s++)
{
label si = R.lhs()[s].index;
scalar sl = R.lhs()[s].stoichCoeff;
RR[si][rRef] -= sl*pr*corr;
RR[si][lRef] += sl*pf*corr;
}
for (label s=0; s<R.rhs().size(); s++)
{
label si = R.rhs()[s].index;
scalar sr = R.rhs()[s].stoichCoeff;
RR[si][lRef] -= sr*pf*corr;
RR[si][rRef] += sr*pr*corr;
}
} // end for(label i...
for (label i=0; i<nSpecie; i++)
{
RR[i][i] += 1.0/dt;
}
c = RR.LUsolve();
for (label i=0; i<nSpecie; i++)
{
c[i] = max(0.0, c[i]);
}
// estimate the next time step
scalar tMin = GREAT;
label nEqns = this->model_.nEqns();
scalarField c1(nEqns, 0.0);
for (label i=0; i<nSpecie; i++)
{
c1[i] = c[i];
}
c1[nSpecie] = T;
c1[nSpecie+1] = p;
scalarField dcdt(nEqns, 0.0);
this->model_.derivatives(0.0, c1, dcdt);
scalar sumC = sum(c);
for (label i=0; i<nSpecie; i++)
{
scalar d = dcdt[i];
if (d < -SMALL)
{
tMin = min(tMin, -(c[i] + SMALL)/d);
}
else
{
d = max(d, SMALL);
scalar cm = max(sumC - c[i], 1.0e-5);
tMin = min(tMin, cm/d);
}
}
return cTauChem_*tMin;
}
// ************************ vim: set sw=4 sts=4 et: ************************ //
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