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add molar fraction as given property

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This commit is contained in:
ekinaci
2017-06-29 14:30:50 +02:00
parent 069b824765
commit 5cc0709fe1
2 changed files with 17 additions and 29 deletions
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42
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C
View File

@ -78,13 +78,15 @@ diffusionCoefficient::diffusionCoefficient
// dcoeff is dependent on molar fraction not mass fraction
N_(sm.mesh().lookupObject<volScalarField>(totalMoleFieldName_)),
Y_(speciesNames_.size()),
// X_(speciesNames_.size()),
diffusantGasNames_(propsDict_.lookup("diffusantGasNames")),
diffusionCoefficients_(diffusantGasNames_.size(),NULL)
diffusionCoefficients_(diffusantGasNames_.size(),NULL),
X_(diffusantGasNames_.size(), NULL)
{
Info << " Reading diffusionCoefficient list: " << diffusantGasNames_ << endl;
for (int i = 0; i < diffusantGasNames_.size(); i++)
Info << " Diffusant names: " << diffusantGasNames_[i] << endl;
{
Info << "Diffusant names: " << diffusantGasNames_[i] << endl;
}
for (int i=0; i<speciesNames_.size(); i++)
{
@ -94,28 +96,6 @@ diffusionCoefficient::diffusionCoefficient
particleCloud_.checkCG(false);
}
// if mole fractions field should be generated ??
/*forAll(Y, i)
{
X_.set
(
i,
new volScalarField
(
IOobject
(
"X_" + Y_[i].name(),
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
mesh_,
dimensionedScalar("X", dimless, 0)
)
);
} */
allocateMyArrays();
createCoeffs();
molWeightTable();
@ -132,6 +112,7 @@ diffusionCoefficient::~diffusionCoefficient()
for (int i=0; i<diffusantGasNames_.size(); i++)
{
particleCloud_.dataExchangeM().destroy(diffusionCoefficients_[i],nP_);
particleCloud_.dataExchangeM().destroy(X_[i], nP_);
}
}
@ -144,7 +125,7 @@ diffusionCoefficient::~diffusionCoefficient()
for (int i=0; i<diffusantGasNames_.size(); i++)
{
particleCloud_.dataExchangeM().allocateArray(diffusionCoefficients_[i],initVal,1,"nparticles");
particleCloud_.dataExchangeM().allocateArray(X_[i],initVal,1,"nparticles");
}
}
}
@ -158,6 +139,7 @@ void diffusionCoefficient::reAllocMyArrays() const
for (int i=0; i<diffusantGasNames_.size(); i++)
{
particleCloud_.dataExchangeM().allocateArray(diffusionCoefficients_[i],initVal,1);
particleCloud_.dataExchangeM().allocateArray(X_[i],initVal,1);
}
}
}
@ -237,7 +219,7 @@ void diffusionCoefficient::execute()
// and for every reactant gas
for (int j=0; j < speciesNames_.size();j++)
{
// if diffusant gas ans reactant gas are not equal get diffusion coefficients
// if diffusant gas and reactant gas are not equal get diffusion coefficients
if (diffusantGasNames_[i] != speciesNames_[j])
{
Info << "molar weights diffuser gases: " << molWeight(speciesNames_[j]) << nl << endl;
@ -260,6 +242,9 @@ void diffusionCoefficient::execute()
Xfluid_[i] = (int)(Xfluid_[i]/1e-6)*1e-6;
Info << "molar fraction diffusing gases:" << Xfluid_[i] << nl << endl;
// fill X array with diffusant gas molar fraction to be transferred to DEM
X_[i][index][0] = Xfluid_[i];
// convert mass to molar fractions
// get molar fraction for other stagnant gases
@ -342,6 +327,7 @@ void diffusionCoefficient::execute()
for(int i =0; i<diffusantGasNames_.size();i++)
{
Info << "effective diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl;
Info << "molar fraction of species" << diffusantGasNames_[i] << " = " << X_[i][index][0] << endl;
}
}
}
@ -350,6 +336,8 @@ void diffusionCoefficient::execute()
{
word pushName = diffusantGasNames_[i] + "_diffCoeff";
particleCloud_.dataExchangeM().giveData(pushName,"scalar-atom",diffusionCoefficients_[i]);
word moleFractionName = "X_" + diffusantGasNames_[i];
particleCloud_.dataExchangeM().giveData(moleFractionName, "scalar-atom", X_[i]);
};
Info << "give data done" << endl;

4
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.H
View File

@ -83,12 +83,12 @@ private:
UPtrList<volScalarField> Y_;
// PtrList<volScalarField> X_;
wordList diffusantGasNames_;
mutable List<double**> diffusionCoefficients_;
mutable List<double**> X_;
HashTable<scalar, word> coeffs;
HashTable<scalar, word> molWeight;