zhyang-dev/CFDEMcoupling-PFM
1
0
Fork 0
mirror of https://github.com/ParticulateFlow/CFDEMcoupling-PFM.git synced 2025-12-08 06:37:44 +00:00
Code Issues Actions Packages Projects Releases Wiki Activity

Merge branch 'feature/cfdemSolverRhoPimple' of https://github.com/ParticulateFlow/CFDEMcoupling into feature/cfdemSolverRhoPimple

Browse Source
This commit is contained in:
tlichtenegger
2017-10-30 10:55:51 +01:00
parent 3b5d46e7cb fac3825a28
commit 210e047e15
4 changed files with 22 additions and 37 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H
View File

@ -42,7 +42,7 @@ tmp<fv::convectionScheme<scalar> > mvConvection
fvOptions.correct(Yi);
#include "debugYEqn.H"
// #include "debugYEqn.H"
Yi.max(0.0);
Yt += Yi;

46
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C
View File

@ -173,12 +173,10 @@ void diffusionCoefficient::execute()
scalar Pfluid(0);
scalar molarConcfluid(0);
scalar Texp(0);
List<scalar> dBinarytot_;
dBinarytot_.setSize(diffusantGasNames_.size());
List<scalar> molecularDiffusion_;
molecularDiffusion_.setSize(diffusantGasNames_.size());
List<scalar> Xstag_tot_;
Xstag_tot_.setSize(diffusantGasNames_.size());
List<scalar> MixtureBinaryDiffusion_;
MixtureBinaryDiffusion_.setSize(diffusantGasNames_.size());
List<scalar> TotalFraction_;
TotalFraction_.setSize(diffusantGasNames_.size());
double **dBinary_ = new double*[diffusantGasNames_.size()];
double **molNum_ = new double*[diffusantGasNames_.size()];
@ -220,7 +218,7 @@ void diffusionCoefficient::execute()
}
}
Texp = pow(Tfluid,1.75);
Texp = pow(Tfluid,1.75);
for (int i=0; i<diffusantGasNames_.size();i++)
{
@ -228,9 +226,8 @@ void diffusionCoefficient::execute()
molNum_[i] = new double [speciesNames_.size()];
volDiff_[i] = new double [speciesNames_.size()];
dBinarytot_[i] = 0.0;
molecularDiffusion_[i] = 0.0;
Xstag_tot_[i] = 0.0;
MixtureBinaryDiffusion_[i] = 0.0;
TotalFraction_[i] = 0.0;
for (int j=0; j < speciesNames_.size();j++)
{
// get molecular diffusion coefficients if diffusant gas and reactant gas are not equal
@ -256,33 +253,22 @@ void diffusionCoefficient::execute()
Info << "Molecular diffusion for species " << diffusantGasNames_[i] << " in "
<< speciesNames_[j] << " is : " << dBinary_[i][j] << nl << endl;
// sum of all binary diffusion coefficients except i = j
dBinarytot_[i] += dBinary_[i][j];
Info << "Sum of binary mol. diffusion coefficients for diffusing gas " << diffusantGasNames_[i]
<< " : " << dBinarytot_[i] << nl << endl;
Info << "Molar fraction of species " << speciesNames_[j] << " : " << Xfluid_[j] << nl << endl;
Info << "What is value of xstag? " << Xstag_tot_[i] << nl << endl;
// sum of all molar fractions except the diffusant gas
Xstag_tot_[i] += Xfluid_[j];
Info << "Sum of stagnant gases molar fractions according to diffusing gas " << diffusantGasNames_[i]
<< " : " << Xstag_tot_[i] << nl << endl;
if (Xfluid_[j] != 0.)
{
// sum of all stagnant gases to sum of binary diffusion
TotalFraction_[i] += Xfluid_[j]/dBinary_[i][j];
// dCoeff -- diffusion component of diffusant gas
if (Xstag_tot_[i] == 0.0) //(Xstag_tot_[i] == 0. || (1-Xfluid_[i]) == 0.)
{
molecularDiffusion_[i] = 0.0;
} else
{
molecularDiffusion_[i] = (1-Xfluid_[i])*dBinarytot_[i]/Xstag_tot_[i];
// dCoeff -- diffusion component of diffusant gas
MixtureBinaryDiffusion_[i] = (1.0-Xfluid_[i])/TotalFraction_[i];
}
Info << "Multicomp. mix diffusion for species " << diffusantGasNames_[i]
<< " is: " << molecularDiffusion_[i] << nl << endl;
<< " is: " << MixtureBinaryDiffusion_[i] << nl << endl;
// pass on dCoeff values to array
diffusionCoefficients_[i][index][0]= molecularDiffusion_[i];
diffusionCoefficients_[i][index][0]= MixtureBinaryDiffusion_[i];
}else
{
@ -300,7 +286,7 @@ void diffusionCoefficient::execute()
{
for(int i =0; i<diffusantGasNames_.size();i++)
{
Info << "effective diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl;
Info << "diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl;
}
}
}

8
src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C
View File

@ -262,7 +262,7 @@ void species::execute()
for (int i = 0; i<speciesNames_.size();i++)
{
Xfluid_[i] = X_[i][cellI];
if (Xfluid_[i] <= 0.0) Xfluid_[i] = 0.0;
if (Xfluid_[i] <= 0.0) Xfluid_[i] = 0.0;
}
}
//fill arrays
@ -291,7 +291,7 @@ void species::execute()
Info << "partTemp_[index][0] = " << partTemp_[index][0] << endl;
Info << "Tfluid = " << Tfluid << endl ;
Info << "voidfraction =" << voidfraction << endl;
Info << "molarConc_" << molarConc_ << endl;
// Info << "molarConc_" << molarConc_ << endl;
}
}
}
@ -333,8 +333,8 @@ void species::execute()
Info << "total conversion of species" << speciesNames_[i] << " = " << gSum(changeOfSpeciesMassFields_[i]*1.0*changeOfSpeciesMassFields_[i].mesh().V() * Nevery_ * timestep) << endl;
}
massSourceCurr_ = gSum(changeOfGasMassField_*1.0*changeOfGasMassField_.mesh().V() * Nevery_ * timestep);
massSourceTot_ += massSourceCurr_;
Info << "total conversion of mass:\n\tcurrent source = " << massSourceCurr_ << "\n\ttotal source = " << massSourceTot_ << "\n" << endl;
massSourceTot_ += massSourceCurr_;
Info << "total conversion of mass:\n\tcurrent source = " << massSourceCurr_ << "\n\ttotal source = " << massSourceTot_ << "\n" << endl;
Info << "get data done" << endl;
}

3
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model/DEM/in.liggghts_run
View File

@ -51,8 +51,7 @@ fix cfd2 all couple/cfd/force
fix cfd3 all couple/cfd/chemistry n_species 3 species_names O2 CO2 N2
# this should shrink the particle
#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rdef 0.2
fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e-1 rmin 0.005 nevery 1
fix cfd4 all chem/shrink speciesA O2 molMassA 0.03199 nuA 1 speciesC CO2 molMassC 0.04401 nuC 1 molMassB 0.01201 nuB 1 k 2.5e-1 rmin 0.005 nevery 1 screen no
# apply nve integration to all particles that are inserted as single particles
fix integr all nve/sphere