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fix dBinary, dCoeff scalar lists, add push to DEM

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ekinaci
2017-05-12 12:46:33 +02:00
parent f8eb939de9
commit 8a4fc7c3d4
1 changed files with 24 additions and 22 deletions
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46
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C
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@ -182,14 +182,19 @@ void diffusionCoefficient::execute()
scalar Texp(0);
List<scalar> Xfluid_;
Xfluid_.setSize(speciesNames_.size());
List<scalar> dBinary_;
dBinary_.setSize(diffusantGasNames_.size());
List<scalar> dCoeff_;
dCoeff_.setSize(diffusantGasNames_.size());
double **molNum_ = new double*[diffusantGasNames_.size()];
double **volDiff_ = new double*[diffusantGasNames_.size()];
scalar dBinary(0.0);
scalar dCoeff(0.0);
// scalar dBinary(0.0);
// scalar dCoeff(0.0);
word speciesPair("none");
word diffusingSpecies("none");
// word speciesPair("none");
// word diffusingSpecies("none");
// defining interpolators for T, rho, voidfraction, N
interpolationCellPoint <scalar> TInterpolator_(tempField_);
@ -262,15 +267,14 @@ void diffusionCoefficient::execute()
// if ( i != j) but checks speciesPairs anyways so not needed.
if(coeffs.found(diffusantGasNames_[i]) && coeffs.found(speciesNames_[j]))
{
dBinary = 0.001*Texp*molNum_[i][j]/(Pfluid*volDiff_[i][j]);
Info << "dBinary: " << dBinary << nl << endl;
dBinary_[i] = 0.001*Texp*molNum_[i][j]/(Pfluid*volDiff_[i][j]);
Info << "dBinary: " << dBinary_[i] << nl << endl;
// According to literature i.e Valipour 2006, Elnashaie et al. 1993, Taylor and Krishna (1993), Natsui et al.
// dCoeff = 1/(1-X[j])*sum(X[i]/D_[i,j])^-1
dCoeff += (Xfluid_[j]/dBinary);
dCoeff = (1-Xfluid_[i])*(1/dCoeff);
Info << "dCoeff: " << dCoeff << nl << endl;
// X is molar fraction / Dij binary diff coeff.
// dCoeff += Y[j] / coeffs.find(speciesPair)();
dCoeff_[i] += (Xfluid_[j]/dBinary_[i]);
dCoeff_[i] = (1-Xfluid_[i])*(1/dCoeff_[i]);
Info << "dCoeff: " << dCoeff_[i] << nl << endl;
}else
{
FatalError
@ -281,23 +285,25 @@ void diffusionCoefficient::execute()
}
}
}
diffusionCoefficients_[i][index][0]= dCoeff_[i];
}
diffusionCoefficients_[i][index][0]= dCoeff;
}
}
if(particleCloud_.verbose() && index >=0 && index < 2)
{
for(int i =0; i<diffusantGasNames_.size();i++)
if(particleCloud_.verbose() && index >=0 && index < 2)
{
Info << "effective diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl;
for(int i =0; i<diffusantGasNames_.size();i++)
{
Info << "effective diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl;
}
}
}
/*for (int i=0; i<diffusionCoefficientNames_.size();i++)
for (int i=0; i<diffusantGasNames_.size();i++)
{
word pushName = diffusantGasNames_[i] + "_diffCoeff";
particleCloud_.dataExchangeM().giveData(pushName,"scalar-atom",diffusionCoefficients_[i]);
};*/
};
Info << "give data done" << endl;
}
@ -320,10 +326,6 @@ void diffusionCoefficient::createCoeffs()
coeffs.insert("H", 1.255707);
coeffs.insert("O", 1.76303);
coeffs.insert("C", 2.54582);
// coeffs for pairs (Va^(1/3)+Vb^(1/3))
coeffs.insert("CO_CO2", 5.66);
coeffs.insert("H2_H2O", 4.25239);
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //