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thermophysicalModels: Refactored mixtures

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to separate those based on pure species from the simplified combustion mixtures
based on composite reactant and product pseudo species.
This commit is contained in:
Henry Weller
2020-06-02 17:24:44 +01:00
parent 1bd80e958b
commit 80f15bd984
29 changed files with 376 additions and 453 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
applications/solvers/combustion/PDRFoam/createFields.H
View File

@ -7,7 +7,7 @@ autoPtr<psiuReactionThermo> pThermo
psiuReactionThermo& thermo = pThermo();
thermo.validate(args.executable(), "ha", "ea");
basicSpecieMixture& composition = thermo.composition();
basicCombustionMixture& composition = thermo.composition();
volScalarField rho
(

2
applications/solvers/combustion/XiFoam/createFields.H
View File

@ -7,7 +7,7 @@ autoPtr<psiuReactionThermo> pThermo
psiuReactionThermo& thermo = pThermo();
thermo.validate(args.executable(), "ha", "ea");
basicSpecieMixture& composition = thermo.composition();
basicCombustionMixture& composition = thermo.composition();
volScalarField rho
(

2
applications/solvers/heatTransfer/chtMultiRegionFoam/fluid/setRegionFluidFields.H
View File

@ -5,7 +5,7 @@
rhoReactionThermo& thermo = thermoFluid[i];
thermo.validate(args.executable(), "h", "e");
basicMultiComponentMixture& composition = thermo.composition();
basicSpecieMixture& composition = thermo.composition();
PtrList<volScalarField>& Y = composition.Y();
label inertIndex = -1;

4
src/combustionModels/radiationModels/sootModels/mixtureFraction/mixtureFraction.C
View File

@ -98,7 +98,7 @@ Foam::radiationModels::sootModels::mixtureFraction<ThermoType>::mixtureFraction
const label speciei = reaction.rhs()[i].index;
const scalar stoichCoeff = reaction.rhs()[i].stoichCoeff;
Xi[i] = mag(stoichCoeff)/totalMol;
Wm += Xi[i]*mixture.speciesData()[speciei].W();
Wm += Xi[i]*mixture.specieThermos()[speciei].W();
}
scalarList Yprod0(mixture.species().size(), 0.0);
@ -106,7 +106,7 @@ Foam::radiationModels::sootModels::mixtureFraction<ThermoType>::mixtureFraction
forAll(reaction.rhs(), i)
{
const label speciei = reaction.rhs()[i].index;
Yprod0[speciei] = mixture.speciesData()[speciei].W()/Wm*Xi[i];
Yprod0[speciei] = mixture.specieThermos()[speciei].W()/Wm*Xi[i];
}
const scalar XSoot = nuSoot_/totalMol;

24
src/combustionModels/singleStepCombustion/singleStepCombustion.C
View File

@ -39,14 +39,14 @@ template<class ReactionThermo, class ThermoType>
void singleStepCombustion<ReactionThermo, ThermoType>::calculateqFuel()
{
const Reaction<ThermoType>& reaction = reaction_();
const scalar Wu = mixture_.speciesData()[fuelIndex_].W();
const scalar Wu = mixture_.specieThermos()[fuelIndex_].W();
forAll(reaction.lhs(), i)
{
const label speciei = reaction.lhs()[i].index;
const scalar stoichCoeff = reaction.lhs()[i].stoichCoeff;
specieStoichCoeffs_[speciei] = -stoichCoeff;
qFuel_.value() += mixture_.speciesData()[speciei].hc()*stoichCoeff/Wu;
qFuel_.value() += mixture_.specieThermos()[speciei].hc()*stoichCoeff/Wu;
}
forAll(reaction.rhs(), i)
@ -54,7 +54,7 @@ void singleStepCombustion<ReactionThermo, ThermoType>::calculateqFuel()
const label speciei = reaction.rhs()[i].index;
const scalar stoichCoeff = reaction.rhs()[i].stoichCoeff;
specieStoichCoeffs_[speciei] = stoichCoeff;
qFuel_.value() -= mixture_.speciesData()[speciei].hc()*stoichCoeff/Wu;
qFuel_.value() -= mixture_.specieThermos()[speciei].hc()*stoichCoeff/Wu;
specieProd_[speciei] = -1;
}
@ -66,17 +66,17 @@ template<class ReactionThermo, class ThermoType>
void singleStepCombustion<ReactionThermo, ThermoType>:: massAndAirStoichRatios()
{
const label O2Index = mixture_.species()["O2"];
const scalar Wu = mixture_.speciesData()[fuelIndex_].W();
const scalar Wu = mixture_.specieThermos()[fuelIndex_].W();
stoicRatio_ =
(mixture_.speciesData()[inertIndex_].W()
(mixture_.specieThermos()[inertIndex_].W()
* specieStoichCoeffs_[inertIndex_]
+ mixture_.speciesData()[O2Index].W()
+ mixture_.specieThermos()[O2Index].W()
* mag(specieStoichCoeffs_[O2Index]))
/ (Wu*mag(specieStoichCoeffs_[fuelIndex_]));
s_ =
(mixture_.speciesData()[O2Index].W()
(mixture_.specieThermos()[O2Index].W()
* mag(specieStoichCoeffs_[O2Index]))
/ (Wu*mag(specieStoichCoeffs_[fuelIndex_]));
@ -105,13 +105,13 @@ void singleStepCombustion<ReactionThermo, ThermoType>:: calculateMaxProducts()
{
const label speciei = reaction.rhs()[i].index;
Xi[i] = mag(specieStoichCoeffs_[speciei])/totalMol;
Wm += Xi[i]*mixture_.speciesData()[speciei].W();
Wm += Xi[i]*mixture_.specieThermos()[speciei].W();
}
forAll(reaction.rhs(), i)
{
const label speciei = reaction.rhs()[i].index;
Yprod0_[speciei] = mixture_.speciesData()[speciei].W()/Wm*Xi[i];
Yprod0_[speciei] = mixture_.specieThermos()[speciei].W()/Wm*Xi[i];
}
Info << "Maximum products mass concentrations:" << nl;
@ -128,8 +128,8 @@ void singleStepCombustion<ReactionThermo, ThermoType>:: calculateMaxProducts()
{
specieStoichCoeffs_[i] =
specieStoichCoeffs_[i]
* mixture_.speciesData()[i].W()
/ (mixture_.speciesData()[fuelIndex_].W()
* mixture_.specieThermos()[i].W()
/ (mixture_.specieThermos()[fuelIndex_].W()
* mag(specieStoichCoeffs_[fuelIndex_]));
}
}
@ -156,7 +156,7 @@ singleStepCombustion<ReactionThermo, ThermoType>::singleStepCombustion
Reaction<ThermoType>::New
(
mixture_.species(),
mixture_.speciesData(),
mixture_.specieThermos(),
this->subDict("reaction")
)
),

3
src/thermophysicalModels/basic/mixtures/basicMixture/basicMixture.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -42,6 +42,7 @@ namespace Foam
class fvMesh;
class dictionary;
class word;
/*---------------------------------------------------------------------------*\
Class basicMixture Declaration

34
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C
View File

@ -39,10 +39,10 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::StandardChemistryModel
BasicChemistryModel<ReactionThermo>(thermo),
ODESystem(),
Y_(this->thermo().composition().Y()),
specieThermo_
specieThermos_
(
dynamic_cast<const multiComponentMixture<ThermoType>&>
(this->thermo()).speciesData()
(this->thermo()).specieThermos()
),
reactions_
(
@ -50,7 +50,7 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::StandardChemistryModel
(
this->thermo()
).species(),
specieThermo_,
specieThermos_,
this->mesh(),
*this
),
@ -175,21 +175,21 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::derivatives
scalar cSum = 0;
for (label i = 0; i < nSpecie_; i++)
{
const scalar W = specieThermo_[i].W();
const scalar W = specieThermos_[i].W();
cSum += c_[i];
rho += W*c_[i];
}
scalar cp = 0;
for (label i=0; i<nSpecie_; i++)
{
cp += c_[i]*specieThermo_[i].cp(p, T);
cp += c_[i]*specieThermos_[i].cp(p, T);
}
cp /= rho;
scalar dT = 0;
for (label i = 0; i < nSpecie_; i++)
{
const scalar hi = specieThermo_[i].ha(p, T);
const scalar hi = specieThermos_[i].ha(p, T);
dT += hi*dcdt[i];
}
dT /= rho*cp;
@ -228,8 +228,8 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::jacobian
scalarField cpi(nSpecie_);
for (label i = 0; i < nSpecie_; i++)
{
hi[i] = specieThermo_[i].ha(p, T);
cpi[i] = specieThermo_[i].cp(p, T);
hi[i] = specieThermos_[i].ha(p, T);
cpi[i] = specieThermos_[i].cp(p, T);
}
scalar omegaI = 0;
List<label> dummy;
@ -248,7 +248,7 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::jacobian
for (label i=0; i<nSpecie_; i++)
{
cpMean += c_[i]*cpi[i]; // J/(m^3 K)
dcpdTMean += c_[i]*specieThermo_[i].dcpdT(p, T);
dcpdTMean += c_[i]*specieThermos_[i].dcpdT(p, T);
}
scalar dTdt = 0.0;
for (label i=0; i<nSpecie_; i++)
@ -320,7 +320,7 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::tc() const
for (label i=0; i<nSpecie_; i++)
{
c_[i] = rhoi*Y_[i][celli]/specieThermo_[i].W();
c_[i] = rhoi*Y_[i][celli]/specieThermos_[i].W();
cSum += c_[i];
}
@ -368,7 +368,7 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::Qdot() const
{
forAll(Qdot, celli)
{
const scalar hi = specieThermo_[i].Hf();
const scalar hi = specieThermos_[i].Hf();
Qdot[celli] -= hi*RR_[i][celli];
}
}
@ -416,7 +416,7 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculateRR
for (label i=0; i<nSpecie_; i++)
{
const scalar Yi = Y_[i][celli];
c_[i] = rhoi*Yi/specieThermo_[i].W();
c_[i] = rhoi*Yi/specieThermos_[i].W();
}
const Reaction<ThermoType>& R = reactions_[ri];
@ -441,7 +441,7 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculateRR
}
}
RR[celli] *= specieThermo_[si].W();
RR[celli] *= specieThermos_[si].W();
}
return tRR;
@ -471,14 +471,14 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculate()
for (label i=0; i<nSpecie_; i++)
{
const scalar Yi = Y_[i][celli];
c_[i] = rhoi*Yi/specieThermo_[i].W();
c_[i] = rhoi*Yi/specieThermos_[i].W();
}
omega(pi, Ti, c_, celli, dcdt_);
for (label i=0; i<nSpecie_; i++)
{
RR_[i][celli] = dcdt_[i]*specieThermo_[i].W();
RR_[i][celli] = dcdt_[i]*specieThermos_[i].W();
}
}
}
@ -519,7 +519,7 @@ Foam::scalar Foam::StandardChemistryModel<ReactionThermo, ThermoType>::solve
for (label i=0; i<nSpecie_; i++)
{
c_[i] = rhoi*Y_[i][celli]/specieThermo_[i].W();
c_[i] = rhoi*Y_[i][celli]/specieThermos_[i].W();
c0[i] = c_[i];
}
@ -542,7 +542,7 @@ Foam::scalar Foam::StandardChemistryModel<ReactionThermo, ThermoType>::solve
for (label i=0; i<nSpecie_; i++)
{
RR_[i][celli] =
(c_[i] - c0[i])*specieThermo_[i].W()/deltaT[celli];
(c_[i] - c0[i])*specieThermos_[i].W()/deltaT[celli];
}
}
else

6
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -80,7 +80,7 @@ protected:
const PtrList<volScalarField>& Y_;
//- Thermodynamic data of the species
const PtrList<ThermoType>& specieThermo_;
const PtrList<ThermoType>& specieThermos_;
//- Reactions
const ReactionList<ThermoType> reactions_;
@ -136,7 +136,7 @@ public:
inline const PtrList<Reaction<ThermoType>>& reactions() const;
//- Thermodynamic data of the species
inline const PtrList<ThermoType>& specieThermo() const;
inline const PtrList<ThermoType>& specieThermos() const;
//- The number of species
virtual inline label nSpecie() const;

6
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModelI.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -55,9 +55,9 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::reactions() const
template<class ReactionThermo, class ThermoType>
inline const Foam::PtrList<ThermoType>&
Foam::StandardChemistryModel<ReactionThermo, ThermoType>::specieThermo() const
Foam::StandardChemistryModel<ReactionThermo, ThermoType>::specieThermos() const
{
return specieThermo_;
return specieThermos_;
}

22
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -351,7 +351,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::derivatives
scalar rho = 0;
for (label i=0; i<this->c_.size(); i++)
{
const scalar W = this->specieThermo_[i].W();
const scalar W = this->specieThermos_[i].W();
rho += W*this->c_[i];
}
@ -359,7 +359,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::derivatives
for (label i=0; i<this->c_.size(); i++)
{
// cp function returns [J/kmol/K]
cp += this->c_[i]*this->specieThermo_[i].cp(p, T);
cp += this->c_[i]*this->specieThermos_[i].cp(p, T);
}
cp /= rho;
@ -380,7 +380,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::derivatives
}
// ha function returns [J/kmol]
const scalar hi = this->specieThermo_[si].ha(p, T);
const scalar hi = this->specieThermos_[si].ha(p, T);
dT += hi*dcdt[i];
}
dT /= rho*cp;
@ -434,8 +434,8 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::jacobian
scalarField cpi(this->c_.size());
forAll(hi, i)
{
hi[i] = this->specieThermo_[i].ha(p, T);
cpi[i] = this->specieThermo_[i].cp(p, T);
hi[i] = this->specieThermos_[i].ha(p, T);
cpi[i] = this->specieThermos_[i].cp(p, T);
}
scalar omegaI = 0;
@ -485,7 +485,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::jacobian
{
cpMean += this->c_[i]*cpi[i]; // J/(m^3 K)
// Already multiplied by rho
dcpdTMean += this->c_[i]*this->specieThermo_[i].dcpdT(p, T);
dcpdTMean += this->c_[i]*this->specieThermos_[i].dcpdT(p, T);
}
scalar dTdt = 0;
@ -608,7 +608,7 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
for (label i=0; i<this->nSpecie_; i++)
{
c[i] = rhoi*this->Y_[i][celli]/this->specieThermo_[i].W();
c[i] = rhoi*this->Y_[i][celli]/this->specieThermos_[i].W();
c0[i] = c[i];
phiq[i] = this->Y()[i][celli];
}
@ -636,7 +636,7 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
// Retrieved solution stored in Rphiq
for (label i=0; i<this->nSpecie(); i++)
{
c[i] = rhoi*Rphiq[i]/this->specieThermo_[i].W();
c[i] = rhoi*Rphiq[i]/this->specieThermos_[i].W();
}
searchISATCpuTime_ += clockTime_.timeIncrement();
@ -702,7 +702,7 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
{
forAll(c, i)
{
Rphiq[i] = c[i]/rhoi*this->specieThermo_[i].W();
Rphiq[i] = c[i]/rhoi*this->specieThermos_[i].W();
}
if (tabulation_->variableTimeStep())
{
@ -746,7 +746,7 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
for (label i=0; i<this->nSpecie_; i++)
{
this->RR_[i][celli] =
(c[i] - c0[i])*this->specieThermo_[i].W()/deltaT[celli];
(c[i] - c0[i])*this->specieThermos_[i].W()/deltaT[celli];
}
}

6
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -238,7 +238,7 @@ Foam::chemistryReductionMethods::DAC<CompType, ThermoType>::DAC
}
}
scalar curMm =
this->chemistry_.specieThermo()[fuelSpeciesID_[i]].W();
this->chemistry_.specieThermos()[fuelSpeciesID_[i]].W();
Mmtot += fuelSpeciesProp_[i]/curMm;
}
@ -248,7 +248,7 @@ Foam::chemistryReductionMethods::DAC<CompType, ThermoType>::DAC
forAll(fuelSpecies_, i)
{
label curID = fuelSpeciesID_[i];
scalar curMm = this->chemistry_.specieThermo()[curID].W();
scalar curMm = this->chemistry_.specieThermos()[curID].W();
nbC += fuelSpeciesProp_[i]*Mmtot/curMm*sC_[curID];
nbO += fuelSpeciesProp_[i]*Mmtot/curMm*sO_[curID];

16
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -353,7 +353,7 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
{
s2c = this->chemistry_.simplifiedToCompleteIndex()[i];
}
Rcq[i] = rhoi*Rphiq[s2c]/this->chemistry_.specieThermo()[s2c].W();
Rcq[i] = rhoi*Rphiq[s2c]/this->chemistry_.specieThermos()[s2c].W();
}
Rcq[speciesNumber] = Rphiq[Rphiq.size() - nAdditionalEqns_];
Rcq[speciesNumber + 1] = Rphiq[Rphiq.size() - nAdditionalEqns_ + 1];
@ -393,16 +393,16 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
sj = this->chemistry_.simplifiedToCompleteIndex()[j];
}
A(i, j) *=
-dt*this->chemistry_.specieThermo()[si].W()
/this->chemistry_.specieThermo()[sj].W();
-dt*this->chemistry_.specieThermos()[si].W()
/this->chemistry_.specieThermos()[sj].W();
}
A(i, i) += 1;
// Columns for pressure and temperature
A(i, speciesNumber) *=
-dt*this->chemistry_.specieThermo()[si].W()/rhoi;
-dt*this->chemistry_.specieThermos()[si].W()/rhoi;
A(i, speciesNumber + 1) *=
-dt*this->chemistry_.specieThermo()[si].W()/rhoi;
-dt*this->chemistry_.specieThermos()[si].W()/rhoi;
}
// For the temperature and pressure lines, ddc(dTdt)
@ -416,9 +416,9 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
}
A(speciesNumber, i) *=
-dt*rhoi/this->chemistry_.specieThermo()[si].W();
-dt*rhoi/this->chemistry_.specieThermos()[si].W();
A(speciesNumber + 1, i) *=
-dt*rhoi/this->chemistry_.specieThermo()[si].W();
-dt*rhoi/this->chemistry_.specieThermos()[si].W();
}
A(speciesNumber, speciesNumber) = -dt*A(speciesNumber, speciesNumber) + 1;

10
src/thermophysicalModels/chemistryModel/chemistrySolver/EulerImplicit/EulerImplicit.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -111,11 +111,11 @@ void Foam::EulerImplicit<ChemistryModel>::solve
const scalar cTot = sum(c);
typename ChemistryModel::thermoType mixture
(
(this->specieThermo_[0].W()*c[0])*this->specieThermo_[0]
(this->specieThermos_[0].W()*c[0])*this->specieThermos_[0]
);
for (label i=1; i<nSpecie; i++)
{
mixture += (this->specieThermo_[i].W()*c[i])*this->specieThermo_[i];
mixture += (this->specieThermos_[i].W()*c[i])*this->specieThermos_[i];
}
const scalar ha = mixture.Ha(p, T);
const scalar deltaTEst = min(deltaT, subDeltaT);
@ -189,10 +189,10 @@ void Foam::EulerImplicit<ChemistryModel>::solve
}
// Update the temperature
mixture = (this->specieThermo_[0].W()*c[0])*this->specieThermo_[0];
mixture = (this->specieThermos_[0].W()*c[0])*this->specieThermos_[0];
for (label i=1; i<nSpecie; i++)
{
mixture += (this->specieThermo_[i].W()*c[i])*this->specieThermo_[i];
mixture += (this->specieThermos_[i].W()*c[i])*this->specieThermos_[i];
}
T = mixture.THa(ha, p, T);
}

1
src/thermophysicalModels/reactionThermo/Make/files
View File

@ -1,4 +1,3 @@
mixtures/basicMultiComponentMixture/basicMultiComponentMixture.C
mixtures/basicSpecieMixture/basicSpecieMixture.C
mixtures/basicCombustionMixture/basicCombustionMixture.C

1
src/thermophysicalModels/reactionThermo/makeReactionThermo.H
View File

@ -28,7 +28,6 @@ License
#include "makeThermo.H"
#include "SpecieMixture.H"
#include "addToRunTimeSelectionTable.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

5
src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H
View File

@ -104,7 +104,7 @@ public:
// Member Functions
// Per specie properties
// Specie properties
//- Molecular weight of the given specie [kg/kmol]
virtual scalar Wi(const label speciei) const;
@ -112,9 +112,6 @@ public:
//- Enthalpy of formation [J/kg]
virtual scalar Hf(const label speciei) const;
// Per specie thermo properties
//- Density [kg/m^3]
virtual scalar rho
(

28
src/thermophysicalModels/reactionThermo/mixtures/basicCombustionMixture/basicCombustionMixture.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2014-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2014-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -43,8 +43,30 @@ Foam::basicCombustionMixture::basicCombustionMixture
const word& phaseName
)
:
basicSpecieMixture(thermoDict, specieNames, mesh, phaseName)
{}
basicMixture(thermoDict, mesh, phaseName),
species_(specieNames),
Y_(species_.size())
{
forAll(species_, i)
{
Y_.set
(
i,
new volScalarField
(
IOobject
(
IOobject::groupName(species_[i], phaseName),
mesh.time().timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
)
);
}
}
// ************************************************************************* //

31
src/thermophysicalModels/reactionThermo/mixtures/basicCombustionMixture/basicCombustionMixture.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2014-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2014-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -25,7 +25,7 @@ Class
Foam::basicCombustionMixture
Description
Specialization of the basicSpecieMixture for combustion.
Specialization of the basicMixture for combustion.
SourceFiles
basicCombustionMixture.C
@ -35,7 +35,10 @@ SourceFiles
#ifndef basicCombustionMixture_H
#define basicCombustionMixture_H
#include "basicSpecieMixture.H"
#include "volFields.H"
#include "PtrList.H"
#include "basicMixture.H"
#include "speciesTable.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -48,9 +51,20 @@ namespace Foam
class basicCombustionMixture
:
public basicSpecieMixture
public basicMixture
{
protected:
// Protected data
//- Table of specie names
speciesTable species_;
//- Species mass fractions
PtrList<volScalarField> Y_;
public:
//- Run time type information
@ -80,6 +94,15 @@ public:
// Member Functions
//- Does the mixture include this specie?
inline bool contains(const word& specieName) const;
//- Return the mass-fraction field for a specie given by name
inline volScalarField& Y(const word& specieName);
//- Return the const mass-fraction field for a specie given by name
inline const volScalarField& Y(const word& specieName) const;
inline scalar fres(const scalar ft, const scalar stoicRatio) const;
inline tmp<volScalarField> fres

29
src/thermophysicalModels/reactionThermo/mixtures/basicCombustionMixture/basicCombustionMixtureI.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2014-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2014-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -23,6 +23,33 @@ License
\*---------------------------------------------------------------------------*/
inline bool Foam::basicCombustionMixture::contains
(
const word& specieName
) const
{
return species_.found(specieName);
}
inline Foam::volScalarField& Foam::basicCombustionMixture::Y
(
const word& specieName
)
{
return Y_[species_[specieName]];
}
inline const Foam::volScalarField& Foam::basicCombustionMixture::Y
(
const word& specieName
) const
{
return Y_[species_[specieName]];
}
inline Foam::scalar Foam::basicCombustionMixture::fres
(
const scalar ft,

154
src/thermophysicalModels/reactionThermo/mixtures/basicMultiComponentMixture/basicMultiComponentMixture.C
View File

@ -1,154 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 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 "basicMultiComponentMixture.H"
// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
namespace Foam
{
defineTypeNameAndDebug(basicMultiComponentMixture, 0);
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::basicMultiComponentMixture::basicMultiComponentMixture
(
const dictionary& thermoDict,
const wordList& specieNames,
const fvMesh& mesh,
const word& phaseName
)
:
basicMixture(thermoDict, mesh, phaseName),
species_(specieNames),
active_(species_.size(), true),
Y_(species_.size())
{
tmp<volScalarField> tYdefault;
forAll(species_, i)
{
IOobject header
(
IOobject::groupName(species_[i], phaseName),
mesh.time().timeName(),
mesh,
IOobject::NO_READ
);
// check if field exists and can be read
if (header.typeHeaderOk<volScalarField>(true))
{
Y_.set
(
i,
new volScalarField
(
IOobject
(
IOobject::groupName(species_[i], phaseName),
mesh.time().timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
)
);
}
else
{
// Read Ydefault if not already read
if (!tYdefault.valid())
{
word YdefaultName(IOobject::groupName("Ydefault", phaseName));
IOobject timeIO
(
YdefaultName,
mesh.time().timeName(),
mesh,
IOobject::MUST_READ,
IOobject::NO_WRITE
);
IOobject constantIO
(
YdefaultName,
mesh.time().constant(),
mesh,
IOobject::MUST_READ,
IOobject::NO_WRITE
);
IOobject time0IO
(
YdefaultName,
Time::timeName(0),
mesh,
IOobject::MUST_READ,
IOobject::NO_WRITE
);
if (timeIO.typeHeaderOk<volScalarField>(true))
{
tYdefault = new volScalarField(timeIO, mesh);
}
else if (constantIO.typeHeaderOk<volScalarField>(true))
{
tYdefault = new volScalarField(constantIO, mesh);
}
else
{
tYdefault = new volScalarField(time0IO, mesh);
}
}
Y_.set
(
i,
new volScalarField
(
IOobject
(
IOobject::groupName(species_[i], phaseName),
mesh.time().timeName(),
mesh,
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
tYdefault()
)
);
}
}
// Do not enforce constraint of sum of mass fractions to equal 1 here
// - not applicable to all models
}
// ************************************************************************* //

154
src/thermophysicalModels/reactionThermo/mixtures/basicMultiComponentMixture/basicMultiComponentMixture.H
View File

@ -1,154 +0,0 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 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/>.
Class
Foam::basicMultiComponentMixture
Description
Multi-component mixture.
Provides a list of mass fraction fields and helper functions to
query mixture composition.
SourceFiles
basicMultiComponentMixture.C
\*---------------------------------------------------------------------------*/
#ifndef basicMultiComponentMixture_H
#define basicMultiComponentMixture_H
#include "volFields.H"
#include "PtrList.H"
#include "basicMixture.H"
#include "speciesTable.H"
#include "typeInfo.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class basicMultiComponentMixture Declaration
\*---------------------------------------------------------------------------*/
class basicMultiComponentMixture
:
public basicMixture
{
protected:
// Protected data
//- Table of specie names
speciesTable species_;
//- List of specie active flags
mutable List<bool> active_;
//- Species mass fractions
PtrList<volScalarField> Y_;
public:
//- Run time type information
TypeName("basicMultiComponentMixture");
//- The base class of the mixture
typedef basicMultiComponentMixture basicMixtureType;
// Constructors
//- Construct from dictionary, species names, mesh and phase name
basicMultiComponentMixture
(
const dictionary&,
const wordList& specieNames,
const fvMesh&,
const word&
);
//- Destructor
virtual ~basicMultiComponentMixture()
{}
// Member Functions
//- Return the table of species
inline const speciesTable& species() const;
//- Does the mixture include this specie?
inline bool contains(const word& specieName) const;
//- Return true for active species
inline bool active(label speciei) const;
//- Return the bool list of active species
inline const List<bool>& active() const;
//- Set speciei active
inline void setActive(label speciei) const;
//- Set speciei inactive
inline void setInactive(label speciei) const;
//- Return the mass-fraction fields
inline PtrList<volScalarField>& Y();
//- Return the const mass-fraction fields
inline const PtrList<volScalarField>& Y() const;
//- Return the mass-fraction field for a specie given by index
inline volScalarField& Y(const label i);
//- Return the const mass-fraction field for a specie given by index
inline const volScalarField& Y(const label i) const;
//- Return the mass-fraction field for a specie given by name
inline volScalarField& Y(const word& specieName);
//- Return the const mass-fraction field for a specie given by name
inline const volScalarField& Y(const word& specieName) const;
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "basicMultiComponentMixtureI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

111
src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2014-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2014-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -43,8 +43,113 @@ Foam::basicSpecieMixture::basicSpecieMixture
const word& phaseName
)
:
basicMultiComponentMixture(thermoDict, specieNames, mesh, phaseName)
{}
basicMixture(thermoDict, mesh, phaseName),
species_(specieNames),
active_(species_.size(), true),
Y_(species_.size())
{
tmp<volScalarField> tYdefault;
forAll(species_, i)
{
IOobject header
(
IOobject::groupName(species_[i], phaseName),
mesh.time().timeName(),
mesh,
IOobject::NO_READ
);
// check if field exists and can be read
if (header.typeHeaderOk<volScalarField>(true))
{
Y_.set
(
i,
new volScalarField
(
IOobject
(
IOobject::groupName(species_[i], phaseName),
mesh.time().timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
)
);
}
else
{
// Read Ydefault if not already read
if (!tYdefault.valid())
{
word YdefaultName(IOobject::groupName("Ydefault", phaseName));
IOobject timeIO
(
YdefaultName,
mesh.time().timeName(),
mesh,
IOobject::MUST_READ,
IOobject::NO_WRITE
);
IOobject constantIO
(
YdefaultName,
mesh.time().constant(),
mesh,
IOobject::MUST_READ,
IOobject::NO_WRITE
);
IOobject time0IO
(
YdefaultName,
Time::timeName(0),
mesh,
IOobject::MUST_READ,
IOobject::NO_WRITE
);
if (timeIO.typeHeaderOk<volScalarField>(true))
{
tYdefault = new volScalarField(timeIO, mesh);
}
else if (constantIO.typeHeaderOk<volScalarField>(true))
{
tYdefault = new volScalarField(constantIO, mesh);
}
else
{
tYdefault = new volScalarField(time0IO, mesh);
}
}
Y_.set
(
i,
new volScalarField
(
IOobject
(
IOobject::groupName(species_[i], phaseName),
mesh.time().timeName(),
mesh,
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
tYdefault()
)
);
}
}
// Do not enforce constraint of sum of mass fractions to equal 1 here
// - not applicable to all models
}
// ************************************************************************* //

72
src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H
View File

@ -25,8 +25,8 @@ Class
Foam::basicSpecieMixture
Description
Specialization of basicMultiComponentMixture for a mixture consisting
of a number for molecular species.
Specialization of basicMixture for a mixture consisting of a number for
molecular species.
SourceFiles
basicSpecieMixture.C
@ -36,7 +36,10 @@ SourceFiles
#ifndef basicSpecieMixture_H
#define basicSpecieMixture_H
#include "basicMultiComponentMixture.H"
#include "volFields.H"
#include "PtrList.H"
#include "basicMixture.H"
#include "speciesTable.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -49,9 +52,23 @@ namespace Foam
class basicSpecieMixture
:
public basicMultiComponentMixture
public basicMixture
{
protected:
// Protected data
//- Table of specie names
speciesTable species_;
//- List of specie active flags
mutable List<bool> active_;
//- Species mass fractions
PtrList<volScalarField> Y_;
public:
//- Run time type information
@ -80,7 +97,44 @@ public:
// Member Functions
// Per specie properties
//- Return the table of species
inline const speciesTable& species() const;
//- Does the mixture include this specie?
inline bool contains(const word& specieName) const;
//- Return true for active species
inline bool active(label speciei) const;
//- Return the bool list of active species
inline const List<bool>& active() const;
//- Set speciei active
inline void setActive(label speciei) const;
//- Set speciei inactive
inline void setInactive(label speciei) const;
//- Return the mass-fraction fields
inline PtrList<volScalarField>& Y();
//- Return the const mass-fraction fields
inline const PtrList<volScalarField>& Y() const;
//- Return the mass-fraction field for a specie given by index
inline volScalarField& Y(const label i);
//- Return the const mass-fraction field for a specie given by index
inline const volScalarField& Y(const label i) const;
//- Return the mass-fraction field for a specie given by name
inline volScalarField& Y(const word& specieName);
//- Return the const mass-fraction field for a specie given by name
inline const volScalarField& Y(const word& specieName) const;
// Specie properties
//- Molecular weight of the given specie [kg/kmol]
virtual scalar Wi(const label speciei) const = 0;
@ -89,7 +143,7 @@ public:
virtual scalar Hf(const label speciei) const = 0;
// Per specie thermo properties
// Specie thermo properties
//- Density [kg/m^3]
virtual scalar rho
@ -188,7 +242,7 @@ public:
) const = 0;
// Per specie transport properties
// Specie transport properties
//- Dynamic viscosity [kg/m/s]
virtual scalar mu
@ -246,6 +300,10 @@ public:
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#include "basicSpecieMixtureI.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

29
src/thermophysicalModels/reactionThermo/mixtures/basicMultiComponentMixture/basicMultiComponentMixtureI.H → src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixtureI.H
View File

@ -23,69 +23,64 @@ License
\*---------------------------------------------------------------------------*/
inline const Foam::speciesTable&
Foam::basicMultiComponentMixture::species() const
inline const Foam::speciesTable& Foam::basicSpecieMixture::species() const
{
return species_;
}
inline bool Foam::basicMultiComponentMixture::contains
(
const word& specieName
) const
inline bool Foam::basicSpecieMixture::contains(const word& specieName) const
{
return species_.found(specieName);
}
inline bool Foam::basicMultiComponentMixture::active(label speciei) const
inline bool Foam::basicSpecieMixture::active(label speciei) const
{
return active_[speciei];
}
inline const Foam::List<bool>& Foam::basicMultiComponentMixture::active() const
inline const Foam::List<bool>& Foam::basicSpecieMixture::active() const
{
return active_;
}
inline void Foam::basicMultiComponentMixture::setActive(label speciei) const
inline void Foam::basicSpecieMixture::setActive(label speciei) const
{
active_[speciei] = true;
const_cast<volScalarField&>(Y_[speciei]).writeOpt() = IOobject::AUTO_WRITE;
}
inline void Foam::basicMultiComponentMixture::setInactive(label speciei) const
inline void Foam::basicSpecieMixture::setInactive(label speciei) const
{
active_[speciei] = false;
const_cast<volScalarField&>(Y_[speciei]).writeOpt() = IOobject::NO_WRITE;
}
inline Foam::PtrList<Foam::volScalarField>&
Foam::basicMultiComponentMixture::Y()
inline Foam::PtrList<Foam::volScalarField>& Foam::basicSpecieMixture::Y()
{
return Y_;
}
inline const Foam::PtrList<Foam::volScalarField>&
Foam::basicMultiComponentMixture::Y() const
Foam::basicSpecieMixture::Y() const
{
return Y_;
}
inline Foam::volScalarField& Foam::basicMultiComponentMixture::Y(const label i)
inline Foam::volScalarField& Foam::basicSpecieMixture::Y(const label i)
{
return Y_[i];
}
inline const Foam::volScalarField& Foam::basicMultiComponentMixture::Y
inline const Foam::volScalarField& Foam::basicSpecieMixture::Y
(
const label i
) const
@ -94,7 +89,7 @@ inline const Foam::volScalarField& Foam::basicMultiComponentMixture::Y
}
inline Foam::volScalarField& Foam::basicMultiComponentMixture::Y
inline Foam::volScalarField& Foam::basicSpecieMixture::Y
(
const word& specieName
)
@ -103,7 +98,7 @@ inline Foam::volScalarField& Foam::basicMultiComponentMixture::Y
}
inline const Foam::volScalarField& Foam::basicMultiComponentMixture::Y
inline const Foam::volScalarField& Foam::basicSpecieMixture::Y
(
const word& specieName
) const

44
src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -34,18 +34,18 @@ Foam::multiComponentMixture<ThermoType>::readSpeciesData
const dictionary& thermoDict
) const
{
PtrList<ThermoType> speciesData(species_.size());
PtrList<ThermoType> specieThermos(species_.size());
forAll(species_, i)
{
speciesData.set
specieThermos.set
(
i,
new ThermoType(thermoDict.subDict(species_[i]))
);
}
return speciesData;
return specieThermos;
}
@ -146,10 +146,10 @@ Foam::multiComponentMixture<ThermoType>::multiComponentMixture
mesh,
phaseName
),
speciesData_(readSpeciesData(thermoDict)),
specieThermos_(readSpeciesData(thermoDict)),
speciesComposition_(readSpeciesComposition(thermoDict, species())),
mixture_("mixture", speciesData_[0]),
mixtureVol_("volMixture", speciesData_[0])
mixture_("mixture", specieThermos_[0]),
mixtureVol_("volMixture", specieThermos_[0])
{
correctMassFractions();
}
@ -163,11 +163,11 @@ const ThermoType& Foam::multiComponentMixture<ThermoType>::cellMixture
const label celli
) const
{
mixture_ = Y_[0][celli]*speciesData_[0];
mixture_ = Y_[0][celli]*specieThermos_[0];
for (label n=1; n<Y_.size(); n++)
{
mixture_ += Y_[n][celli]*speciesData_[n];
mixture_ += Y_[n][celli]*specieThermos_[n];
}
return mixture_;
@ -181,11 +181,11 @@ const ThermoType& Foam::multiComponentMixture<ThermoType>::patchFaceMixture
const label facei
) const
{
mixture_ = Y_[0].boundaryField()[patchi][facei]*speciesData_[0];
mixture_ = Y_[0].boundaryField()[patchi][facei]*specieThermos_[0];
for (label n=1; n<Y_.size(); n++)
{
mixture_ += Y_[n].boundaryField()[patchi][facei]*speciesData_[n];
mixture_ += Y_[n].boundaryField()[patchi][facei]*specieThermos_[n];
}
return mixture_;
@ -201,18 +201,18 @@ const ThermoType& Foam::multiComponentMixture<ThermoType>::cellVolMixture
) const
{
scalar rhoInv = 0.0;
forAll(speciesData_, i)
forAll(specieThermos_, i)
{
rhoInv += Y_[i][celli]/speciesData_[i].rho(p, T);
rhoInv += Y_[i][celli]/specieThermos_[i].rho(p, T);
}
mixtureVol_ =
Y_[0][celli]/speciesData_[0].rho(p, T)/rhoInv*speciesData_[0];
Y_[0][celli]/specieThermos_[0].rho(p, T)/rhoInv*specieThermos_[0];
for (label n=1; n<Y_.size(); n++)
{
mixtureVol_ +=
Y_[n][celli]/speciesData_[n].rho(p, T)/rhoInv*speciesData_[n];
Y_[n][celli]/specieThermos_[n].rho(p, T)/rhoInv*specieThermos_[n];
}
return mixtureVol_;
@ -230,21 +230,21 @@ patchFaceVolMixture
) const
{
scalar rhoInv = 0.0;
forAll(speciesData_, i)
forAll(specieThermos_, i)
{
rhoInv +=
Y_[i].boundaryField()[patchi][facei]/speciesData_[i].rho(p, T);
Y_[i].boundaryField()[patchi][facei]/specieThermos_[i].rho(p, T);
}
mixtureVol_ =
Y_[0].boundaryField()[patchi][facei]/speciesData_[0].rho(p, T)/rhoInv
* speciesData_[0];
Y_[0].boundaryField()[patchi][facei]/specieThermos_[0].rho(p, T)/rhoInv
* specieThermos_[0];
for (label n=1; n<Y_.size(); n++)
{
mixtureVol_ +=
Y_[n].boundaryField()[patchi][facei]/speciesData_[n].rho(p,T)
/ rhoInv*speciesData_[n];
Y_[n].boundaryField()[patchi][facei]/specieThermos_[n].rho(p,T)
/ rhoInv*specieThermos_[n];
}
return mixtureVol_;
@ -259,7 +259,7 @@ void Foam::multiComponentMixture<ThermoType>::read
{
forAll(species_, i)
{
speciesData_[i] = ThermoType(thermoDict.subDict(species_[i]));
specieThermos_[i] = ThermoType(thermoDict.subDict(species_[i]));
}
}

10
src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.H
View File

@ -55,8 +55,8 @@ class multiComponentMixture
{
// Private Data
//- Species data
PtrList<ThermoType> speciesData_;
//- List of specie thermo
PtrList<ThermoType> specieThermos_;
typedef HashTable<List<specieElement>> speciesCompositionTable;
@ -119,9 +119,9 @@ public:
}
//- Return the raw specie thermodynamic data
const PtrList<ThermoType>& speciesData() const
const PtrList<ThermoType>& specieThermos() const
{
return speciesData_;
return specieThermos_;
}
//- Return the table of species composition
@ -159,7 +159,7 @@ public:
//- Return thermo based on index
inline const ThermoType& specieThermo(const label speciei) const
{
return speciesData_[speciei];
return specieThermos_[speciei];
}
};

4
src/thermophysicalModels/reactionThermo/psiReactionThermo/psiReactionThermo.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -37,8 +37,6 @@ SourceFiles
#include "psiThermo.H"
#include "basicSpecieMixture.H"
#include "autoPtr.H"
#include "runTimeSelectionTables.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

4
src/thermophysicalModels/reactionThermo/psiuReactionThermo/psiuReactionThermo.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -106,7 +106,7 @@ psiuReactionThermo::psiuReactionThermo
const word& phaseName
)
:
psiReactionThermo(mesh, phaseName)
psiThermo(mesh, phaseName)
{}

15
src/thermophysicalModels/reactionThermo/psiuReactionThermo/psiuReactionThermo.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -36,7 +36,8 @@ SourceFiles
#ifndef psiuReactionThermo_H
#define psiuReactionThermo_H
#include "psiReactionThermo.H"
#include "psiThermo.H"
#include "basicCombustionMixture.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -44,12 +45,12 @@ namespace Foam
{
/*---------------------------------------------------------------------------*\
Class psiuReactionThermo Declaration
Class psiuReactionThermo Declaration
\*---------------------------------------------------------------------------*/
class psiuReactionThermo
:
public psiReactionThermo
public psiThermo
{
protected:
@ -106,6 +107,12 @@ public:
//- Update properties
virtual void correct() = 0;
//- Return the composition of the combustion mixture
virtual basicCombustionMixture& composition() = 0;
//- Return the composition of the combustion mixture
virtual const basicCombustionMixture& composition() const = 0;
// Access to thermodynamic state variables.