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clean up some formatting [ci skip]

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This commit is contained in:
danielque
2019-08-14 16:19:47 +02:00
parent 3ce4d419ca
commit 2e10933575
1 changed files with 38 additions and 33 deletions
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71
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C
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@ -96,7 +96,8 @@ diffusionCoefficient::~diffusionCoefficient()
}
// * * * * * * * * * * * * * * * private Member Functions * * * * * * * * * * * * * //
void diffusionCoefficient::allocateMyArrays() const
void diffusionCoefficient::allocateMyArrays() const
{
double initVal=0.0;
if (particleCloud_.dataExchangeM().maxNumberOfParticles() > 0)
@ -135,13 +136,14 @@ void diffusionCoefficient::init()
(mesh_.lookupObject<volScalarField>("X_"+diffusantGasNames_[j]));
Xdiffusant_.set(j, &Xdiffusant);
if(verbose_)
if (verbose_)
{
Info << " Reading diffusing gas species list: " << diffusantGasNames_ << endl;
Info << " Looking up diffusin gas species fields: " << "X_"+diffusantGasNames_[j] << endl;
Info << " The molar fraction fields (Xdiffusant_i): " << Xdiffusant_[j].name() << nl << endl;
}
}
initialized_ = true;
}
@ -172,67 +174,69 @@ void diffusionCoefficient::execute()
for (int index=0; index<particleCloud_.numberOfParticles(); ++index)
{
cellI=particleCloud_.cellIDs()[index][0];
cellI = particleCloud_.cellIDs()[index][0];
if (cellI >=0)
{
if(interpolation_)
{
vector position = particleCloud_.position(index);
Tfluid = TInterpolator_.interpolate(position,cellI);
Pfluid = PInterpolator_.interpolate(position,cellI);
vector position = particleCloud_.position(index);
Tfluid = TInterpolator_.interpolate(position,cellI);
Pfluid = PInterpolator_.interpolate(position,cellI);
}
else
{
Tfluid = tempField_[cellI];
Pfluid = P_[cellI];
Tfluid = tempField_[cellI];
Pfluid = P_[cellI];
for (int i = 0; i<speciesNames_.size();i++)
for (int i = 0; i<speciesNames_.size(); i++)
{
// total amount of negative molar fractions in the domain
// check it and then delete it
if (X_[i][cellI] < 0.0)
{
Xnegative += X_[i][cellI] * mesh_.time().deltaTValue();
Info << "total negative molar fractions =" << Xnegative << endl;
Info << "total negative molar fractions = " << Xnegative << endl;
}
}
}
partPressure_[index][0] = Pfluid;
// change fluid pressure to 1 bar instead of Pa
Pfluid = Pfluid/100000.0;
Texp = Tfluid*sqrt(sqrt(Tfluid*Tfluid*Tfluid));
Pfluid = Pfluid / 100000.0;
Texp = Tfluid * sqrt(sqrt(Tfluid*Tfluid*Tfluid));
for (int j=0; j<diffusantGasNames_.size();j++)
for (int j=0; j<diffusantGasNames_.size(); j++)
{
TotalFraction_[j] = 0.0;
dBinary_ = 0.0;
for (int i=0; i < speciesNames_.size();i++)
TotalFraction_[j] = 0.0;
dBinary_ = 0.0;
for (int i=0; i < speciesNames_.size(); i++)
{
// get molecular diffusion coefficients if diffusant gas and reactant gas are not equal
if (diffusantGasNames_[j] != speciesNames_[i])
{
if(verbose_)
if (verbose_)
{
Info << "molar weights diffuser gases: " << molWeight(speciesNames_[i]) << nl << endl;
Info << "molar weights diffuser gases: " << molWeight(speciesNames_[i]) << nl << endl;
Info << "molar weights diffusant gases: " << molWeight(diffusantGasNames_[j]) << nl << endl;
Info << "Pressure: " << Pfluid << nl << endl;
}
if(coeffs.found(diffusantGasNames_[j]) && coeffs.found(speciesNames_[i]))
if (coeffs.found(diffusantGasNames_[j]) && coeffs.found(speciesNames_[i]))
{
// Fuller-Schettler-Giddings Equation
// Unit of dBinary is [m^2/s]
// INFO:: Normally unit of dBinary is cm^2/s, but the 1st term in RHS is 10^-3 instead
// So here it is already converted
dBinary_ = 1e-7*Texp*calcMolNum(j,i)/(Pfluid*calcDiffVol(j,i));
dBinary_ = 1e-7 * Texp * calcMolNum(j,i) / (Pfluid * calcDiffVol(j,i));
if (verbose_) {
Info << "Xfluid for " << speciesNames_[i] << " : " << X_[i][cellI] << nl << endl;
if (verbose_)
{
Info << "Xfluid for " << speciesNames_[i] << " : " << X_[i][cellI] << nl << endl;
Info << "Xdiffusant for " << diffusantGasNames_[j] << " : " << Xdiffusant_[j][cellI] << nl << endl;
}
TotalFraction_[j] += X_[i][cellI]/dBinary_;
TotalFraction_[j] += X_[i][cellI] / dBinary_;
if (verbose_)
Info << "Total Fraction = " << TotalFraction_[j] << nl << endl;
@ -241,10 +245,11 @@ void diffusionCoefficient::execute()
if (TotalFraction_[j] < VSMALL)
diffusionCoefficients_[j][index][0] = VSMALL;
else
diffusionCoefficients_[j][index][0] = (1.0-Xdiffusant_[j][cellI])/TotalFraction_[j];
}else
diffusionCoefficients_[j][index][0] = (1.0 - Xdiffusant_[j][cellI]) / TotalFraction_[j];
}
else
{
FatalError
FatalError
<< "check tables for species diffusion volume"
<< endl
<< abort(FatalError);
@ -253,14 +258,14 @@ void diffusionCoefficient::execute()
}
if(verbose_)
Info << "diffusionCoefficient of species " << diffusantGasNames_[j] << " = " << diffusionCoefficients_[j][index][0] << endl; //
Info << "diffusionCoefficient of species " << diffusantGasNames_[j] << " = " << diffusionCoefficients_[j][index][0] << endl;
}
}
}
particleCloud_.dataExchangeM().giveData(partPressureName_, "scalar-atom",partPressure_);
particleCloud_.dataExchangeM().giveData(partPressureName_,"scalar-atom",partPressure_);
for (int j=0; j<diffusantGasNames_.size();j++)
for (int j=0; j<diffusantGasNames_.size(); j++)
{
word pushName = diffusantGasNames_[j] + "_diffCoeff";
particleCloud_.dataExchangeM().giveData(pushName,"scalar-atom",diffusionCoefficients_[j]);
@ -294,8 +299,8 @@ void diffusionCoefficient::createCoeffs()
double diffusionCoefficient::calcDiffVol(int j, int i)
{
double sqrtvolDiff = coeffs(diffusantGasNames_[j])+coeffs(speciesNames_[i]);
return sqrtvolDiff*sqrtvolDiff;
double sqrtvolDiff = coeffs(diffusantGasNames_[j])+coeffs(speciesNames_[i]);
return sqrtvolDiff * sqrtvolDiff;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -322,8 +327,8 @@ double diffusionCoefficient::calcMolNum(int j, int i)
double W1 = molWeight(diffusantGasNames_[j]);
double W2 = molWeight(speciesNames_[i]);
molNum_ = (W1 + W2) / (W1 * W2);
molNum_ = sqrt(molNum_);
molNum_ = (W1 + W2) / (W1 * W2);
molNum_ = sqrt(molNum_);
return molNum_;
}