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StandardChemistryModel::calculateRR: Added specie stoichiometric coefficients to individual specie reaction rates

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Used by specieReactionRates functionObject
This commit is contained in:
Henry Weller
2018-01-25 21:24:39 +00:00
parent fc2b2d0c05
commit a4ca234215
1 changed files with 23 additions and 18 deletions
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41
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C
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@ -118,7 +118,7 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::omega
{ {
const Reaction<ThermoType>& R = reactions_[i]; const Reaction<ThermoType>& R = reactions_[i];
scalar omegai = omega const scalar omegai = omega
( (
R, c, T, p, pf, cf, lRef, pr, cr, rRef R, c, T, p, pf, cf, lRef, pr, cr, rRef
); );
@ -587,9 +587,6 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculateRR
const label si const label si
) const ) const
{ {
scalar pf, cf, pr, cr;
label lRef, rRef;
tmp<volScalarField::Internal> tRR tmp<volScalarField::Internal> tRR
( (
new volScalarField::Internal new volScalarField::Internal
@ -615,6 +612,9 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculateRR
const scalarField& T = this->thermo().T(); const scalarField& T = this->thermo().T();
const scalarField& p = this->thermo().p(); const scalarField& p = this->thermo().p();
scalar pf, cf, pr, cr;
label lRef, rRef;
forAll(rho, celli) forAll(rho, celli)
{ {
const scalar rhoi = rho[celli]; const scalar rhoi = rho[celli];
@ -627,21 +627,26 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculateRR
c_[i] = rhoi*Yi/specieThermo_[i].W(); c_[i] = rhoi*Yi/specieThermo_[i].W();
} }
const scalar w = omegaI const Reaction<ThermoType>& R = reactions_[ri];
( const scalar omegai = omega(R, c_, Ti, pi, pf, cf, lRef, pr, cr, rRef);
ri,
c_,
Ti,
pi,
pf,
cf,
lRef,
pr,
cr,
rRef
);
RR[celli] = w*specieThermo_[si].W(); forAll(R.lhs(), s)
{
if (si == R.lhs()[s].index)
{
RR[celli] -= R.lhs()[s].stoichCoeff*omegai;
}
}
forAll(R.rhs(), s)
{
if (si == R.rhs()[s].index)
{
RR[celli] += R.rhs()[s].stoichCoeff*omegai;
}
}
RR[celli] *= specieThermo_[si].W();
} }
return tRR; return tRR;