diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C index eed65d11..a2c9ddc8 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C @@ -182,14 +182,19 @@ void diffusionCoefficient::execute() scalar Texp(0); List Xfluid_; Xfluid_.setSize(speciesNames_.size()); + List dBinary_; + dBinary_.setSize(diffusantGasNames_.size()); + List 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 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=0 && index < 2) { - Info << "effective diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl; + for(int i =0; i