diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C index 9c248936..229fb80d 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C @@ -20,14 +20,12 @@ License \*---------------------------------------------------------------------------*/ #include "error.H" -#include "diffusionCoefficient.H" +#include "diffusionCoefficients.H" #include "addToRunTimeSelectionTable.H" #include "dataExchangeModel.H" #include "IFstream.H" - - // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // namespace Foam @@ -57,7 +55,7 @@ diffusionCoefficient::diffusionCoefficient propsDict_(dict.subDict(typeName + "Props")), interpolation_(propsDict_.lookupOrDefault("interpolation",false)), mesh_(sm.mesh()), - // define a file name in the coupling properties that contains the diffusionCoefficient + // define a file name in the coupling properties that contains the species specDict_ ( IFstream @@ -67,28 +65,27 @@ diffusionCoefficient::diffusionCoefficient ), // create a list from the Species table in the specified diffusionCoefficient dictionary speciesNames_(specDict_.lookup("species")), - diffusionCoefficientNames_(propsDict_.lookup("diffusionCoefficientNames")), - Y_(speciesNames_.size()), //volumeScalarFields created in the ts folders - diffusionCoefficients_(diffusionCoefficientNames_.size(),NULL), //the value of diffusionCoefficient concentration for every diffusionCoefficient tempFieldName_(propsDict_.lookup("tempFieldName")), tempField_(sm.mesh().lookupObject (tempFieldName_)), pressureFieldName_(propsDict_.lookup("pressureFieldName")), - P_(sm.mesh().lookupObject(pressureFieldName_)) + P_(sm.mesh().lookupObject(pressureFieldName_)), + totalMoleFieldName_(propsDict_.lookup("totalMoleFieldName")), + N_(sm.mesh().lookupObject(totalMoleFieldName_)), + Y_(speciesNames_.size()), + diffusantGasNames_(propsDict_.lookup("diffusantGasNames")), + diffusionCoefficients_(diffusantGasNames_.size(),NULL) + /* diffusionCoefficientNames_(propsDict_.lookup("diffusionCoefficientNames")), + //volumeScalarFields created in the ts folders + diffusionCoefficients_(diffusionCoefficientNames_.size(),NULL), //the value of diffusionCoefficient concentration for every diffusionCoefficient + */ { - Info << " Read species list from: " << specDict_.name() << endl; - Info << " Reading diffusionCoefficient list: " << diffusionCoefficientNames_ << endl; + Info << " Reading diffusionCoefficient list: " << diffusantGasNames_ << endl; for (int i=0; i (sm.mesh().lookupObject(speciesNames_[i])); Y_.set(i, &Y); - - Info << "The concentration fields (Y_i): \n" << Y_[i].name() << endl; - // define the modified diffusionCoefficient names - particleCloud_.checkCG(false); } @@ -100,18 +97,18 @@ diffusionCoefficient::diffusionCoefficient diffusionCoefficient::~diffusionCoefficient() { - coeffs.clearStorage(); +/* coeffs.clearStorage(); int nP_ = particleCloud_.numberOfParticles(); for (int i=0; i 0) { for (int i=0; i Y_; - mutable List diffusionCoefficients_; - word tempFieldName_; const volScalarField& tempField_; // ref to gas temperature field @@ -73,7 +68,18 @@ private: // gas pressure at particle location word pressureFieldName_; - const volScalarField& P_; + const volScalarField& P_; + + // total mole field + word totalMoleFieldName_; + + const volScalarField& N_; + + UPtrList Y_; + + wordList diffusantGasNames_; + + mutable List diffusionCoefficients_; HashTable coeffs; @@ -81,16 +87,10 @@ private: void allocateMyArrays() const; - - - - - - -public: + public: //- Runtime type information - TypeName("diffusionCoefficient"); + TypeName("diffusionCoefficients"); // Constructors