Resurrected the SimpleTransport object.
The test problem was failing and had been ignored.
This commit is contained in:
Harry Moffat
parent
a20321e5c9
commit
357c7ff4d9
6 changed files with 102 additions and 136 deletions
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@ -625,19 +625,21 @@ namespace Cantera {
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updateMobilityRatio_T();
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}
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mobRat = m_mobRatSpecies;
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for (int k = 0; k < m_nBinInt; k++)
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for (int k = 0; k < m_nBinInt; k++) {
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mobRatIndex[k] = m_mobRatSpeciesIndex[k];
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}
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}
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void LiquidTransport::getSpeciesMobilityRatio(doublereal** mobRat, std::vector<std::string>& mobRatIndex) {
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update_T();
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if (!m_mobRat_temp_ok) {
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updateMobilityRatio_T();
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}
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for (int k=0; k<m_nBinInt; k++){
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for (int j=0; j < m_nsp; j++)
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for (int k=0; k<m_nBinInt; k++) {
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for (int j=0; j < m_nsp; j++) {
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mobRat[k][j] = m_mobRatSpecies(k,j);
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}
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mobRatIndex[k] = m_mobRatSpeciesIndex[k];
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}
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}
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}
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@ -656,35 +658,16 @@ namespace Cantera {
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update_C();
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////// LiquidTranInteraction method
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if (!m_selfDiff_mix_ok){
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for (int k = 0; k < m_nsp; k++){
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if ( m_selfDiffMixModelIndex[k] != m_selfDiffTempDepIndex[k] )
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if (!m_selfDiff_mix_ok) {
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for (int k = 0; k < m_nsp; k++) {
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if (m_selfDiffMixModelIndex[k] != m_selfDiffTempDepIndex[k]) {
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throw CanteraError("LiquidTransport::selfDiffusion","Self Diffusion Indices Don't Match: Mixture vs. Species");
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m_selfDiffMix[k] = m_selfDiffMixModel[k]->getMixTransProp( m_selfDiffTempDep_Ns[k] );
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}
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m_selfDiffMix[k] = m_selfDiffMixModel[k]->getMixTransProp(m_selfDiffTempDep_Ns[k]);
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m_selfDiffMixIndex[k] = m_selfDiffMixModelIndex[k];
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}
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}
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for (int k = 0; k < m_nsp; k++){
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selfDiff[k] = m_selfDiffMix[k];
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selfDiffIndex[k]= m_selfDiffMixIndex[k];
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}
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}
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void LiquidTransport:: selfDiffusion(double* selfDiff, std::vector<std::string>& selfDiffIndex) {
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update_T();
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update_C();
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////// LiquidTranInteraction method
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if (!m_selfDiff_mix_ok){
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for (int k = 0; k < m_nsp; k++){
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if ( m_selfDiffMixModelIndex[k] != m_selfDiffTempDepIndex[k] )
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throw CanteraError("LiquidTransport::selfDiffusion","Self Diffusion Indices Don't Match: Mixture vs. Species");
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m_selfDiffMix[k] = m_selfDiffMixModel[k]->getMixTransProp( m_selfDiffTempDep_Ns[k] );
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m_selfDiffMixIndex[k] = m_selfDiffMixModelIndex[k];
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}
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}
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for (int k = 0; k < m_nsp; k++){
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for (int k = 0; k < m_nsp; k++) {
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selfDiff[k] = m_selfDiffMix[k];
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selfDiffIndex[k]= m_selfDiffMixIndex[k];
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}
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@ -29,6 +29,7 @@ using namespace std;
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namespace Cantera {
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// Forward references
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class LiquidTransportParams;
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@ -227,7 +228,6 @@ namespace Cantera {
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* determine the individual species self diffusion coeffs.
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*/
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virtual void selfDiffusion(vector_fp& selfDiff, std::vector<std::string>& selfDiffIndex);
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virtual void selfDiffusion(double* selfDiff, std::vector<std::string>& selfDiffIndex);
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//! Returns the pure species self diffusion in solution of each species
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/*!
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@ -862,8 +862,10 @@ namespace Cantera {
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private:
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//! Number of species in the mixture
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//! Number of species in the phase
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int m_nsp;
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int m_nBinInt;
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//! Minimum temperature applicable to the transport property eval
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@ -872,11 +874,11 @@ namespace Cantera {
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//! Maximum temperature applicable to the transport property evaluator
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doublereal m_tmax;
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//! Local Copy of the molecular weights of the species
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//! Local copy of the molecular weights of the species
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/*!
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* Length is Equal to the number of species in the mechanism.
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* Length is equal to the number of species in the phase
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*/
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vector_fp m_mw;
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vector_fp m_mw;
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//! Viscosity for each species expressed as an appropriate subclass
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//! of LTPspecies
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@ -709,10 +709,12 @@ namespace Cantera {
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* thermal conductivity.
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*/
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void SimpleTransport::updateCond_T() {
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int k;
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for (k = 0; k < m_nsp; k++) {
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m_condSpecies[k] = m_coeffLambda_Ns[k]->getSpeciesTransProp() ;
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if (compositionDepType_ == 0) {
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m_condSpecies[0] = m_coeffLambda_Ns[0]->getSpeciesTransProp();
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} else {
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for (int k = 0; k < m_nsp; k++) {
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m_condSpecies[k] = m_coeffLambda_Ns[k]->getSpeciesTransProp();
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}
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}
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m_cond_temp_ok = true;
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m_cond_mix_ok = false;
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@ -753,9 +755,12 @@ namespace Cantera {
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* The flag m_visc_ok is set to true.
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*/
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void SimpleTransport::updateViscosity_T() {
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int k;
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for (k = 0; k < m_nsp; k++) {
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m_viscSpecies[k] = m_coeffVisc_Ns[k]->getSpeciesTransProp();
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if (compositionDepType_ == 0) {
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m_viscSpecies[0] = m_coeffVisc_Ns[0]->getSpeciesTransProp();
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} else {
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for (int k = 0; k < m_nsp; k++) {
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m_viscSpecies[k] = m_coeffVisc_Ns[k]->getSpeciesTransProp();
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}
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}
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m_visc_temp_ok = true;
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m_visc_mix_ok = false;
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@ -359,8 +359,7 @@ namespace Cantera {
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*/
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virtual void selfDiffusion(vector_fp& selfDiff, std::vector<std::string>& selfDiffIndex)
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{ err("selfDiffusion"); }
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virtual void selfDiffusion(double* selfDiff, std::vector<std::string>& selfDiffIndex)
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{ err("selfdiffusion"); }
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//! Returns the pure species self diffusion in solution of each species
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/*!
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@ -439,9 +439,9 @@ namespace Cantera {
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dtr->initialize(phase, gastr);
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break;
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case cSimpleTransport:
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// tr = new SimpleTransport();
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// initLiquidTransport(tr, phase, log_level);
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// tr->setThermo(*phase);
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tr = new SimpleTransport();
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initLiquidTransport(tr, phase, log_level);
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tr->setThermo(*phase);
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break;
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#ifdef WITH_IDEAL_SOLUTIONS
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case cLiquidTransport:
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@ -897,6 +897,7 @@ namespace Cantera {
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for (i = 0; i < tr.nsp_; i++) {
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GasTransportData& trdat = datatable[names[i]];
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// 'datatable' returns a default TransportData object if
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@ -947,33 +948,34 @@ namespace Cantera {
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* instance of TransportParams containing the transport data for
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* these species read from the file.
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*/
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void TransportFactory::getLiquidSpeciesTransportData( const std::vector<const XML_Node*> &xspecies,
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XML_Node& log,
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const std::vector<std::string> &names,
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LiquidTransportParams& trParam)
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void TransportFactory::getLiquidSpeciesTransportData(const std::vector<const XML_Node*> &xspecies,
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XML_Node& log,
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const std::vector<std::string> &names,
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LiquidTransportParams& trParam)
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{
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std::string name;
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/*
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* Create a map of species names versus liquid transport data parameters
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*/
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std::map<std::string, LiquidTransportData> datatable;
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std::map<std::string, LiquidTransportData>::iterator it;
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int nsp = trParam.nsp_;//static_cast<int>(xspecies.size());
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// Store the number of species in the phase
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int nsp = trParam.nsp_;
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// Store the number of off-diagonal symmetric interactions between species in the phase
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int nBinInt = nsp*(nsp-1)/2;
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// read all entries in database into 'datatable' and check for
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// errors. Note that this procedure validates all entries, not
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// only those for the species listed in 'names'.
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int i;
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for (i = 0; i < nsp; i++) {
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for (int i = 0; i < nsp; i++) {
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const XML_Node& sp = *xspecies[i];
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name = sp["name"];
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vector_fp vCoeff;
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// std::cout << "Processing node for " << name << std::endl;
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// put in a try block so that species with no 'transport'
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// child are skipped, instead of throwing an exception.
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// Species with no 'transport' child are skipped. However, if that species is in the list,
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// it will throw an exception below.
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try {
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if (sp.hasChild("transport")) {
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XML_Node& trNode = sp.child("transport");
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@ -982,121 +984,96 @@ namespace Cantera {
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// and then insertion into LiquidTransportData objects below.
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LiquidTransportData data;
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data.speciesName = name;
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//data.viscosity = 0;
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//data.ionConductivity = 0;
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data.mobRatIndex.resize(nBinInt,"");
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data.mobilityRatio.resize(nBinInt,0);
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data.selfDiffIndex.resize(nsp,"");
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data.selfDiffusion.resize(nsp,0);
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//////// new stuff
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int num = trNode.nChildren();
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for (int iChild = 0; iChild < num; iChild++) {
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XML_Node &xmlChild = trNode.child(iChild);
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std::string nodeName = xmlChild.name();
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switch ( m_tranPropMap[nodeName] ) {
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switch (m_tranPropMap[nodeName]) {
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case TP_VISCOSITY:
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data.viscosity = newLTP( xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.viscosity = newLTP(xmlChild, name, m_tranPropMap[nodeName], trParam.thermo );
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break;
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case TP_IONCONDUCTIVITY:
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data.ionConductivity = newLTP( xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.ionConductivity = newLTP(xmlChild, name, m_tranPropMap[nodeName], trParam.thermo);
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break;
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case TP_MOBILITYRATIO:
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{
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int iSpec;
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for (iSpec = 0; iSpec< nBinInt; iSpec++){
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for (int iSpec = 0; iSpec< nBinInt; iSpec++){
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XML_Node &propSpecNode = xmlChild.child(iSpec);
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std::string specName = propSpecNode.name();
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data.mobRatIndex[iSpec] = specName;
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data.mobilityRatio[iSpec] = newLTP( propSpecNode,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.mobilityRatio[iSpec] = newLTP(propSpecNode, name, m_tranPropMap[nodeName], trParam.thermo);
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};
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};
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break;
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case TP_SELFDIFFUSION:
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{
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int iSpec;
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for (iSpec = 0; iSpec< nsp; iSpec++){
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for (int iSpec = 0; iSpec< nsp; iSpec++){
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XML_Node &propSpecNode = xmlChild.child(iSpec);
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std::string specName = propSpecNode.name();
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data.selfDiffIndex[iSpec] = specName;
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data.selfDiffusion[iSpec] = newLTP( propSpecNode,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.selfDiffusion[iSpec] = newLTP(propSpecNode, name, m_tranPropMap[nodeName], trParam.thermo);
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};
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};
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break;
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case TP_THERMALCOND:
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data.thermalCond = newLTP( xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.thermalCond = newLTP(xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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break;
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case TP_DIFFUSIVITY:
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data.speciesDiffusivity = newLTP( xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.speciesDiffusivity = newLTP(xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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break;
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case TP_HYDRORADIUS:
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data.hydroRadius = newLTP( xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.hydroRadius = newLTP(xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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break;
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case TP_ELECTCOND:
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data.electCond = newLTP( xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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data.electCond = newLTP(xmlChild,
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name,
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m_tranPropMap[nodeName],
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trParam.thermo );
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break;
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default:
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throw CanteraError("getLiquidSpeciesTransportData","unknown transport property: " + nodeName );
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throw CanteraError("getLiquidSpeciesTransportData","unknown transport property: " + nodeName);
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}
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}
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datatable.insert(pair<std::string, LiquidTransportData>(name,data));
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// datatable[name] = data;
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}
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}
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catch(CanteraError) {
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;
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catch (CanteraError yy) {
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throw yy;
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}
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}
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trParam.LTData.clear();
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for (i = 0; i < trParam.nsp_; i++) {
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LiquidTransportData& trdat = datatable[names[i]];
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// 'datatable' returns a default TransportData object if
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// the species name is not one in the transport database.
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// This can be detected by examining 'geometry'.
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if ( !( (trdat.viscosity)->checkPositive() ) ) {
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throw TransportDBError(0,"no viscosity transport data found for species "
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+ names[i]);
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std::cout << "No viscosity seen for " << names[i]
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<< "but this might not be required depending on what you are trying to do."
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<< std::endl;
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}
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for (int i = 0; i < trParam.nsp_; i++) {
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/*
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* this is a much more general way to handle the transfer
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* -> calling the default copy constructor for LiquidTransportData
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* Check to see that we have a LiquidTransportData object for all of the
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* species in the phase. If not, throw an error.
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*/
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it = datatable.find(names[i]);
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if (it == datatable.end()) {
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throw TransportDBError(0,"No transport data found for species " + names[i]);
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}
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LiquidTransportData& trdat = it->second;
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/*
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* Now, transfer these objects into LTData in the correct phase index order by
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* calling the default copy constructor for LiquidTransportData.
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*/
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trParam.LTData.push_back(trdat);
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}
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@ -1133,15 +1110,13 @@ namespace Cantera {
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trParam.selfDiffIndex.resize(nsp,"");
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trParam.selfDiffusion.resize(nsp,0);
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if ( tranTypeNode.hasChild("compositionDependence")) {
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if (tranTypeNode.hasChild("compositionDependence")) {
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//compDepNode contains the interaction model
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XML_Node &compDepNode = tranTypeNode.child("compositionDependence");
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switch (m_tranPropMap[nodeName]) {
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break;
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case TP_VISCOSITY:
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trParam.viscosity = newLTI( compDepNode,
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m_tranPropMap[nodeName],
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trParam );
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trParam.viscosity = newLTI(compDepNode, m_tranPropMap[nodeName], trParam);
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break;
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case TP_IONCONDUCTIVITY:
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trParam.ionConductivity = newLTI( compDepNode,
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@ -1198,12 +1173,6 @@ namespace Cantera {
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throw CanteraError("getLiquidInteractionsTransportData","unknown transport property: " + nodeName );
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}
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}
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else {
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int linenum;
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throw TransportDBError( linenum,
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"missing <compositionDependence> node for <"
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+ tranTypeNode.name() + "> node." );
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}
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/* Allow a switch between mass-averaged, mole-averaged
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* and solvent specified reference velocities.
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@ -202,14 +202,22 @@ namespace Cantera {
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GasTransportParams& tr);
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//! Read transport property data from a file for a list of species.
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//! Read transport property data from a file for a list of species that comprise
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//! the phase.
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/*!
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* Given the name of a file containing transport property
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* parameters and a list of species names, this method constructs the LiquidTransport
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* Params object containing the transport data for these species.
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*
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* Given the name of a file containing transport property
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* parameters and a list of species names, this method returns an
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* instance of TransportParams containing the transport data for
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* these species read from the file.
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* It is an error to not find a "transport" XML element within each of the species
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* XML elements listed in the names vector.
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*
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* @param db Reference to a vector of XML_Node pointers containing the species XML
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* nodes.
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* @param log Reference to an XML log file. (currently unused)
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* @param names Vector of names of species. On output, tr will contain transport data
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* for each of of these names in the order determined by this vector.
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* @param tr Reference to the LiquidTransportParams object that will contain the results.
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*/
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void getLiquidSpeciesTransportData(const std::vector<const XML_Node*> &db,
|
||||
XML_Node& log, const std::vector<std::string>& names,
|
||||
|
|
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Loading…
Add table
Reference in a new issue