Foam::chemistryReductionMethod<CompType, ThermoType>::chemistryReductionMethod
(
const Foam::IOdictionary& dict,
Foam::TDACChemistryModel<CompType, ThermoType>& chemistry
)
:
dict_(dict),
coeffsDict_(dict.subDict("reduction")),
active_(coeffsDict_.lookupOrDefault<Switch>("active", false)),
log_(coeffsDict_.lookupOrDefault<Switch>("log", false)),
chemistry_(chemistry),
activeSpecies_(chemistry.nSpecie(), false),
NsSimp_(chemistry.nSpecie()),
nSpecie_(chemistry.nSpecie()),
tolerance_(coeffsDict_.lookupOrDefault<scalar>("tolerance", 1e-4))
{}
Foam::DAC<CompType,ThermoType>::DAC
(
const Foam::IOdictionary& dict,
Foam::TDACChemistryModel<CompType, ThermoType>& chemistry
)
:
mechanismReduction<CompType, ThermoType>(dict, chemistry),
searchInitSet_(this->coeffsDict_.subDict("initialSet").size()),
zprime_(0),
nbCLarge_(3),
sC_(this->nSpecie_,0),
sH_(this->nSpecie_,0),
sO_(this->nSpecie_,0),
sN_(this->nSpecie_,0),
CO2Id_(-1),
COId_(-1),
HO2Id_(-1),
H2OId_(-1),
NOId_(-1),
automaticSIS_(true),
phiTol_(this->tolerance()),
NOxThreshold_(1800),
CO2Name_
(
dict.subDict("mechanismReduction").lookupOrDefault<word>
(
"CO2Name","CO2"
)
),
COName_
(
dict.subDict("mechanismReduction").lookupOrDefault<word>
(
"COName","CO"
)
),
HO2Name_
(
dict.subDict("mechanismReduction").lookupOrDefault<word>
(
"HO2Name","HO2"
)
),
H2OName_
(
dict.subDict("mechanismReduction").lookupOrDefault<word>
(
"H2OName","H2O"
)
),
NOName_
(
dict.subDict("mechanismReduction").lookupOrDefault<word>
(
"NOName","NO"
)
),
forceFuelInclusion_(false)
{
label j=0;
dictionary initSet = this->coeffsDict_.subDict("initialSet");
for (label i=0; i<chemistry.nSpecie(); i++)
{
if (initSet.found(chemistry.Y()[i].name()))
{
searchInitSet_[j++]=i;
}
}
if (j<searchInitSet_.size())
{
FatalErrorIn("mechanismReduction")
<< searchInitSet_.size()-j
<< " species in the intial set is not in the mechanism "
<< initSet
<< abort(FatalError);
}
if (this->coeffsDict_.found("automaticSIS"))
{
automaticSIS_.readIfPresent("automaticSIS", this->coeffsDict_);
}
if (this->coeffsDict_.found("forceFuelInclusion"))
{
forceFuelInclusion_.readIfPresent
(
"forceFuelInclusion",this->coeffsDict_
);
}
if (this->coeffsDict_.found("phiTol"))
{
phiTol_ = readScalar(this->coeffsDict_.lookup("phiTol"));
}
if (this->coeffsDict_.found("NOxThreshold"))
{
NOxThreshold_ = readScalar(this->coeffsDict_.lookup("NOxThreshold"));
}
const List<List<chemkinReader::specieElement> >& specieComposition =
chemistry.specieComp();
for (label i=0; i<this->nSpecie_; i++)
{
const List<chemkinReader::specieElement>& curSpecieComposition =
specieComposition[i];
//for all elements in the current species
forAll(curSpecieComposition,j)
{
const chemkinReader::specieElement& curElement =
curSpecieComposition[j];
if (curElement.elementName == "C")
{
sC_[i] = curElement.nAtoms;
}
else if (curElement.elementName == "H")
{
sH_[i] = curElement.nAtoms;
}
else if (curElement.elementName == "O")
{
sO_[i] = curElement.nAtoms;
}
else if (curElement.elementName == "N")
{
sN_[i] = curElement.nAtoms;
}
else
{
Info<< "element not considered"<<endl;
}
}
if (this->chemistry_.Y()[i].name() == CO2Name_)
{
CO2Id_ = i;
}
else if (this->chemistry_.Y()[i].name() == COName_)
{
COId_ = i;
}
else if (this->chemistry_.Y()[i].name() == HO2Name_)
{
HO2Id_ = i;
}
else if (this->chemistry_.Y()[i].name() == H2OName_)
{
H2OId_ = i;
}
else if (this->chemistry_.Y()[i].name() == NOName_)
{
NOId_ = i;
}
}
if ((CO2Id_==-1 || COId_==-1 || HO2Id_==-1 || H2OId_==-1) && automaticSIS_)
{
FatalErrorIn("DAC.C::DAC")
<< "The name of the species used in automatic SIS are not found in "
<< " the mechanism. You should either set the name for CO2, CO, H2O"
<< " and HO2 properly or set automaticSIS to off "
<< abort(FatalError);
}
//To compute zprime, the fuel species should be specified.
//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)
{
FatalErrorIn("DAC.C::DAC")
<< "With automatic SIS, the fuel species should be "
<< "specified in the fuelSpecies subDict"
<< abort(FatalError);
}
}
else
{
FatalErrorIn("DAC.C::DAC")
<< "With automatic SIS, the fuel species should be "
<< "specified in the fuelSpecies subDict"
<< abort(FatalError);
}
if (this->coeffsDict_.found("nbCLarge"))
{
nbCLarge_ = readLabel(fuelDict.lookup("nbCLarge"));
}
fuelSpeciesID_.setSize(fuelSpecies_.size());
fuelSpeciesProp_.setSize(fuelSpecies_.size());
scalar Mmtot(0.0);
forAll(fuelSpecies_, i)
{
fuelSpeciesProp_[i] = readScalar(fuelDict.lookup(fuelSpecies_[i]));
for (label j=0; j<this->nSpecie_; j++)
{
if (this->chemistry_.Y()[j].name() == fuelSpecies_[i])
{
fuelSpeciesID_[i]=j;
break;
}
}
scalar curMm =
this->chemistry_.specieThermo()[fuelSpeciesID_[i]].W();
Mmtot += fuelSpeciesProp_[i]/curMm;
}
Mmtot = 1.0/Mmtot;
scalar nbC(0.0);
scalar nbO(0.0);
forAll(fuelSpecies_, i)
{
label curID = fuelSpeciesID_[i];
scalar curMm = this->chemistry_.specieThermo()[curID].W();
nbC += fuelSpeciesProp_[i]*Mmtot/curMm*sC_[curID];
nbO += fuelSpeciesProp_[i]*Mmtot/curMm*sO_[curID];
}