zhyang-dev/OpenFOAM-12
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

chemistryReductionMethods: Change dictionaries to lists

Browse Source 
The "initialSet" and "fuelSpecies" settings for chemistry reduction
methods now have to be formatted as lists, rather than dictionaries.
This is so that the settings in the TDAC configuration files can be
overridden in a case without the dictionaries being merged.
This commit is contained in:
Will Bainbridge
2021-04-20 17:14:30 +01:00
parent 955d9d3bc7
commit 8547ae173f
8 changed files with 59 additions and 133 deletions
Download Patch File Download Diff File Expand all files Collapse all files

16
etc/caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg
View File

@ -22,11 +22,11 @@ reduction
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
(
CO
CH4
HO2
);
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
@ -34,9 +34,9 @@ reduction
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1;
}
(
(CH4 1)
);
}
tabulation

16
etc/caseDicts/solvers/chemistry/TDAC/chemistryPropertiesFlame.cfg
View File

@ -22,11 +22,11 @@ reduction
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
(
CO
CH4
HO2
);
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
@ -34,9 +34,9 @@ reduction
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1;
}
(
(CH4 1)
);
}
tabulation

71
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C
View File

@ -35,7 +35,7 @@ Foam::chemistryReductionMethods::DAC<ThermoType>::DAC
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_(this->coeffsDict_.subDict("initialSet").size()),
searchInitSet_(),
zprime_(0),
nbCLarge_(3),
sC_(this->nSpecie_,0),
@ -87,22 +87,10 @@ Foam::chemistryReductionMethods::DAC<ThermoType>::DAC
),
forceFuelInclusion_(false)
{
label j=0;
dictionary initSet = this->coeffsDict_.subDict("initialSet");
for (label i=0; i<chemistry.nSpecie(); i++)
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
forAllConstIter(wordHashSet, initSet, iter)
{
if (initSet.found(chemistry.Y()[i].member()))
{
searchInitSet_[j++] = i;
}
}
if (j<searchInitSet_.size())
{
FatalErrorInFunction
<< searchInitSet_.size()-j
<< " species in the initial set is not in the mechanism "
<< initSet
<< exit(FatalError);
searchInitSet_.append(chemistry.mixture().species()[iter.key()]);
}
if (this->coeffsDict_.found("automaticSIS"))
@ -195,52 +183,29 @@ Foam::chemistryReductionMethods::DAC<ThermoType>::DAC
// According to the given mass fraction, an equivalent O/C ratio is computed
if (automaticSIS_)
{
dictionary fuelDict;
if (this->coeffsDict_.found("fuelSpecies"))
{
fuelDict = this->coeffsDict_.subDict("fuelSpecies");
fuelSpecies_ = fuelDict.toc();
if (fuelSpecies_.size() == 0)
{
FatalErrorInFunction
<< "With automatic SIS, the fuel species should be "
<< "specified in the fuelSpecies subDict"
<< exit(FatalError);
}
}
else
{
FatalErrorInFunction
<< "With automatic SIS, the fuel species should be "
<< "specified in the fuelSpecies subDict"
<< exit(FatalError);
}
List<Tuple2<word, scalar>> fuelSpeciesEntry
(
this->coeffsDict_.lookup("fuelSpecies")
);
if (this->coeffsDict_.found("nbCLarge"))
{
nbCLarge_ = fuelDict.lookup<label>("nbCLarge");
}
fuelSpeciesID_.setSize(fuelSpecies_.size());
fuelSpeciesProp_.setSize(fuelSpecies_.size());
fuelSpecies_.setSize(fuelSpeciesEntry.size());
fuelSpeciesID_.setSize(fuelSpeciesEntry.size());
fuelSpeciesProp_.setSize(fuelSpeciesEntry.size());
scalar Mmtot(0.0);
forAll(fuelSpecies_, i)
forAll(fuelSpeciesEntry, i)
{
fuelSpeciesProp_[i] = fuelDict.lookup<scalar>(fuelSpecies_[i]);
for (label j=0; j<this->nSpecie_; j++)
{
if (this->chemistry_.Y()[j].member() == fuelSpecies_[i])
{
fuelSpeciesID_[i] = j;
break;
}
}
fuelSpecies_[i] = fuelSpeciesEntry[i].first();
fuelSpeciesProp_[i] = fuelSpeciesEntry[i].second();
fuelSpeciesID_[i] =
this->chemistry_.mixture().species()[fuelSpecies_[i]];
scalar curMm =
this->chemistry_.specieThermos()[fuelSpeciesID_[i]].W();
Mmtot += fuelSpeciesProp_[i]/curMm;
}
this->coeffsDict_.readIfPresent("nbCLarge", nbCLarge_);
Mmtot = 1.0/Mmtot;
scalar nbC(0.0);
scalar nbO(0.0);

20
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.C
View File

@ -35,24 +35,12 @@ Foam::chemistryReductionMethods::DRG<ThermoType>::DRG
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_(this->coeffsDict_.subDict("initialSet").size())
searchInitSet_()
{
label j=0;
dictionary initSet = this->coeffsDict_.subDict("initialSet");
for (label i=0; i<chemistry.nSpecie(); i++)
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
forAllConstIter(wordHashSet, initSet, iter)
{
if (initSet.found(chemistry.Y()[i].member()))
{
searchInitSet_[j++] = i;
}
}
if (j<searchInitSet_.size())
{
FatalErrorInFunction
<< searchInitSet_.size()-j
<< " species in the initial set is not in the mechanism "
<< initSet
<< exit(FatalError);
searchInitSet_.append(chemistry.mixture().species()[iter.key()]);
}
}

20
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.C
View File

@ -36,29 +36,17 @@ Foam::chemistryReductionMethods::DRGEP<ThermoType>::DRGEP
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_(this->coeffsDict_.subDict("initialSet").size()),
searchInitSet_(),
sC_(this->nSpecie_,0),
sH_(this->nSpecie_,0),
sO_(this->nSpecie_,0),
sN_(this->nSpecie_,0),
NGroupBased_(50)
{
label j=0;
dictionary initSet = this->coeffsDict_.subDict("initialSet");
for (label i=0; i<chemistry.nSpecie(); i++)
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
forAllConstIter(wordHashSet, initSet, iter)
{
if (initSet.found(chemistry.Y()[i].member()))
{
searchInitSet_[j++]=i;
}
}
if (j<searchInitSet_.size())
{
FatalErrorInFunction
<< searchInitSet_.size()-j
<< " species in the initial set is not in the mechanism "
<< initSet
<< exit(FatalError);
searchInitSet_.append(chemistry.mixture().species()[iter.key()]);
}
if (this->coeffsDict_.found("NGroupBased"))

23
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.C
View File

@ -35,27 +35,12 @@ Foam::chemistryReductionMethods::PFA<ThermoType>::PFA
)
:
chemistryReductionMethod<ThermoType>(dict, chemistry),
searchInitSet_(this->coeffsDict_.subDict("initialSet").size())
searchInitSet_()
{
label j=0;
dictionary initSet = this->coeffsDict_.subDict("initialSet");
for (label i=0; i<chemistry.nSpecie(); i++)
const wordHashSet initSet(this->coeffsDict_.lookup("initialSet"));
forAllConstIter(wordHashSet, initSet, iter)
{
if (initSet.found(chemistry.Y()[i].member()))
{
searchInitSet_[j++] = i;
}
}
if (j<searchInitSet_.size())
{
FatalErrorInFunction
<< searchInitSet_.size()-j
<< " species in the initial set is not in the mechanism "
<< initSet
<< abort(FatalError);
searchInitSet_.append(chemistry.mixture().species()[iter.key()]);
}
}

10
tutorials/combustion/chemFoam/ic8h18_TDAC/constant/chemistryProperties
View File

@ -40,11 +40,11 @@ reduction
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
IC8H18;
HO2;
}
(
CO
IC8H18
HO2
);
}
// Tabulation is not effective for single-cell ignition calculations

16
tutorials/combustion/reactingFoam/RAS/DLR_A_LTS/constant/chemistryProperties
View File

@ -48,11 +48,11 @@ reduction
// Search initiating set (SIS) of species, needed for most methods
initialSet
{
CO;
CH4;
HO2;
}
(
CO
CH4
HO2
);
// For DAC, option to automatically change the SIS switch from HO2 to H2O
// and CO to CO2, + disable fuel
@ -60,9 +60,9 @@ reduction
// When automaticSIS, the method needs to know the fuel
fuelSpecies
{
CH4 1;
}
(
(CH4 1)
);
}
tabulation