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Check total negative molar fractions

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This commit is contained in:
ekinaci
2018-06-29 14:34:10 +02:00
parent 24d05d696c
commit bbb46df35c
1 changed files with 13 additions and 2 deletions
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15
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C
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@ -173,6 +173,7 @@ void diffusionCoefficient::execute()
scalar molarConcfluid(0);
scalar Texp(0);
scalar dBinary_(0);
scalar Xnegative(0);
List<scalar> Xfluid_(0);
Xfluid_.setSize(speciesNames_.size());
@ -220,6 +221,16 @@ void diffusionCoefficient::execute()
XfluidDiffusant_[j] = X_[i][cellI];
}
// total amount of negative molar fractions in the domain
// check it and then delete it
scalar timestep = mesh_.time().deltaTValue();
if (Xfluid_[i] < 0.0)
{
Xnegative += Xfluid_[i]*timestep;
Info << "total negative molar fractions =" << Xnegative << endl;
}
if (Xfluid_[i] <= 0.) Xfluid_[i] = 0.0;
if (XfluidDiffusant_[j] <= 0.) XfluidDiffusant_[j] = 0.0;
@ -234,8 +245,9 @@ void diffusionCoefficient::execute()
partPressure_[index][0] = Pfluid;
// change fluid pressure to 1 bar instead of Pa
Pfluid = Pfluid/101325;
Pfluid = Pfluid/101325.0;
Texp = Tfluid*sqrt(sqrt(Tfluid*Tfluid*Tfluid));
if(verbose_)
{
Info << "partPressure_[index][0] = " << partPressure_[index][0] << endl;
@ -252,7 +264,6 @@ void diffusionCoefficient::execute()
// get molecular diffusion coefficients if diffusant gas and reactant gas are not equal
if (diffusantGasNames_[i] != speciesNames_[j])
{
if(verbose_)
{
Info << "molar weights diffuser gases: " << molWeight(speciesNames_[j]) << nl << endl;