Removed repetative functions from transport: now use only customary pass by pointers (not by references to Densematrix or vector_fp)
This commit is contained in:
Christopher Lueth
parent
b77a8d7407
commit
5cfd0514d3
8 changed files with 84 additions and 207 deletions
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@ -34,7 +34,7 @@ namespace Cantera {
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LiquidTransport::LiquidTransport(thermo_t* thermo, int ndim) :
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Transport(thermo, ndim),
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m_nsp(0),
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m_nBinInt(0),
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m_nsp2(0),
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m_tmin(-1.0),
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m_tmax(100000.),
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m_viscMixModel(0),
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@ -82,7 +82,7 @@ namespace Cantera {
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LiquidTransport::LiquidTransport(const LiquidTransport &right) :
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Transport(right.m_thermo, right.m_nDim),
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m_nsp(0),
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m_nBinInt(0),
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m_nsp2(0),
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m_tmin(-1.0),
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m_tmax(100000.),
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m_viscMixModel(0),
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@ -137,16 +137,14 @@ namespace Cantera {
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}
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Transport::operator=(right);
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m_nsp = right.m_nsp;
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m_nBinInt = right.m_nBinInt;
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m_nsp2 = right.m_nsp2;
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m_tmin = right.m_tmin;
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m_tmax = right.m_tmax;
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m_mw = right.m_mw;
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m_viscTempDep_Ns = right.m_viscTempDep_Ns;
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m_ionCondTempDep_Ns = right.m_ionCondTempDep_Ns;
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m_mobRatTempDep_Ns = right.m_mobRatTempDep_Ns;
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m_mobRatTempDepIndex = right.m_mobRatTempDepIndex;
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m_selfDiffTempDep_Ns = right.m_selfDiffTempDep_Ns;
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m_selfDiffTempDepIndex = right.m_selfDiffTempDepIndex;
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m_lambdaTempDep_Ns = right.m_lambdaTempDep_Ns;
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m_diffTempDep_Ns = right.m_diffTempDep_Ns;
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m_radiusTempDep_Ns = right.m_radiusTempDep_Ns;
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@ -159,17 +157,13 @@ namespace Cantera {
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m_viscSpecies = right.m_viscSpecies;
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m_ionCondSpecies = right.m_ionCondSpecies;
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m_mobRatSpecies = right.m_mobRatSpecies;
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m_mobRatSpeciesIndex = right.m_mobRatSpeciesIndex;
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m_selfDiffSpecies = right.m_selfDiffSpecies;
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m_selfDiffSpeciesIndex = right.m_selfDiffSpeciesIndex;
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m_hydrodynamic_radius = right.m_hydrodynamic_radius;
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m_lambdaSpecies = right.m_lambdaSpecies;
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m_viscMixModel = right.m_viscMixModel;
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m_ionCondMixModel = right.m_ionCondMixModel;
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m_mobRatMixModel = right.m_mobRatMixModel;
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m_mobRatMixModelIndex = right.m_mobRatMixModelIndex;
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m_selfDiffMixModel = right.m_selfDiffMixModel;
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m_selfDiffMixModelIndex = right.m_selfDiffMixModelIndex;
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m_lambdaMixModel = right.m_lambdaMixModel;
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m_diffMixModel = right.m_diffMixModel;
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m_iStateMF = -1;
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@ -191,7 +185,6 @@ namespace Cantera {
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m_viscmix = right.m_viscmix;
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m_ionCondmix = right.m_ionCondmix;
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m_mobRatMix = right.m_mobRatMix;
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m_mobRatMixIndex = right.m_mobRatMixIndex;
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m_selfDiffMix = right.m_selfDiffMix;
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m_spwork = right.m_spwork;
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m_visc_mix_ok = false;
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@ -237,7 +230,7 @@ namespace Cantera {
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delete m_selfDiffTempDep_Ns[l][k];
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}
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}
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for ( int l=0;l < m_nBinInt; l++ ){
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for ( int l=0;l < m_nsp2; l++ ){
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if ( m_mobRatTempDep_Ns[l][k] ) delete m_mobRatTempDep_Ns[l][k];
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}
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if ( m_lambdaTempDep_Ns[k] ) delete m_lambdaTempDep_Ns[k];
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@ -248,7 +241,7 @@ namespace Cantera {
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if ( m_selfDiffMixModel[k] ) delete m_selfDiffMixModel[k];
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}
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for ( int k = 0; k < m_nBinInt; k++) {
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for ( int k = 0; k < m_nsp2; k++) {
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if ( m_mobRatMixModel[k] ) delete m_mobRatMixModel[k];
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}
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@ -279,7 +272,7 @@ namespace Cantera {
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tr.thermo = 0;
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m_velocityBasis = tr.velocityBasis_;
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m_nsp = m_thermo->nSpecies();
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m_nBinInt = m_nsp*(m_nsp-1)/2;
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m_nsp2 = m_nsp*m_nsp;
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m_tmin = m_thermo->minTemp();
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m_tmax = m_thermo->maxTemp();
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@ -295,25 +288,18 @@ namespace Cantera {
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m_viscTempDep_Ns.resize(m_nsp, 0);
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m_ionCondSpecies.resize(m_nsp, 0.0);
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m_ionCondTempDep_Ns.resize(m_nsp, 0);
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m_mobRatTempDepIndex.resize(m_nBinInt);
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m_mobRatTempDep_Ns.resize(m_nBinInt);
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m_mobRatMixModel.resize(m_nBinInt);
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m_mobRatMixModelIndex.resize(m_nBinInt);
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m_mobRatSpeciesIndex.resize(m_nBinInt);
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m_mobRatSpecies.resize(m_nBinInt, m_nsp, 0.0);
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m_mobRatMix.resize(m_nBinInt,0.0);
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m_mobRatMixIndex.resize(m_nBinInt);
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m_selfDiffTempDepIndex.resize(m_nsp);
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m_mobRatTempDep_Ns.resize(m_nsp2);
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m_mobRatMixModel.resize(m_nsp2);
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m_mobRatSpecies.resize(m_nsp2, m_nsp, 0.0);
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m_mobRatMix.resize(m_nsp2,0.0);
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m_selfDiffTempDep_Ns.resize(m_nsp);
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m_selfDiffMixModel.resize(m_nsp);
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m_selfDiffMixModelIndex.resize(m_nsp);
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m_selfDiffSpeciesIndex.resize(m_nsp);
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m_selfDiffSpecies.resize(m_nsp, m_nsp, 0.0);
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m_selfDiffMix.resize(m_nsp,0.0);
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for (k=0; k < m_nsp; k++){
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m_selfDiffTempDep_Ns[k].resize(m_nsp, 0);
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}
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for (k=0; k < m_nBinInt; k++){
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for (k=0; k < m_nsp2; k++){
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m_mobRatTempDep_Ns[k].resize(m_nsp, 0);
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}
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m_lambdaSpecies.resize(m_nsp, 0.0);
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@ -325,12 +311,10 @@ namespace Cantera {
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for (k = 0; k < m_nsp; k++) {
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m_selfDiffMixModel[k] = tr.selfDiffusion[k];
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tr.selfDiffusion[k] = 0;
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m_selfDiffMixModelIndex[k] = tr.selfDiffIndex[k];
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}
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for (k = 0; k < m_nBinInt; k++) {
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for (k = 0; k < m_nsp2; k++) {
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m_mobRatMixModel[k] = tr.mobilityRatio[k];
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tr.mobilityRatio[k] = 0;
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m_mobRatMixModelIndex[k] = tr.mobRatIndex[k];
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}
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//for each species, assign viscosity model and coefficients
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@ -340,25 +324,13 @@ namespace Cantera {
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ltd.viscosity = 0;
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m_ionCondTempDep_Ns[k] = ltd.ionConductivity;
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ltd.ionConductivity = 0;
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for (int j = 0; j < m_nBinInt; j++){
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for (int l=0; l < m_nBinInt; l++){
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if (m_mobRatMixModelIndex[j] == ltd.mobRatIndex[l]) {
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m_mobRatTempDep_Ns[j][k] = ltd.mobilityRatio[l];
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ltd.mobilityRatio[l] = 0;
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m_mobRatTempDepIndex[j] = ltd.mobRatIndex[l];
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break;
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}
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}
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for (int j = 0; j < m_nsp2; j++){
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m_mobRatTempDep_Ns[j][k] = ltd.mobilityRatio[j];
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ltd.mobilityRatio[j] = 0;
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}
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for (int j = 0; j < (int) m_selfDiffMixModelIndex.size(); j++) {
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for (int l = 0; l < (int) m_selfDiffMixModelIndex.size(); l++) {
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if (m_selfDiffMixModelIndex[j] == ltd.selfDiffIndex[l]) {
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m_selfDiffTempDep_Ns[j][k] = ltd.selfDiffusion[l];
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ltd.selfDiffusion[l] = 0;
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m_selfDiffTempDepIndex[j] = ltd.selfDiffIndex[l];
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break;
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}
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}
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for (int j = 0; j < m_nsp; j++){
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m_selfDiffTempDep_Ns[j][k] = ltd.selfDiffusion[j];
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ltd.selfDiffusion[j] = 0;
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}
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m_lambdaTempDep_Ns[k] = ltd.thermalCond;
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ltd.thermalCond = 0;
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@ -571,42 +543,22 @@ namespace Cantera {
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* These in turn employ subclasses of LTPspecies to
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* determine the individual species mobility ratios.
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*/
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void LiquidTransport:: mobilityRatio(vector_fp& mobRat, std::vector<std::string>& mobRatIndex) {
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void LiquidTransport:: mobilityRatio(doublereal* mobRat) {
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update_T();
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update_C();
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////// LiquidTranInteraction method
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if (!m_mobRat_mix_ok){
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for (int k = 0; k < m_nBinInt; k++){
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if ( m_mobRatMixModelIndex[k] != m_mobRatTempDepIndex[k] )
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throw CanteraError("LiquidTransport::mobilityRation","Mobility Ratio Indices Don't Match: Mixture vs. Species");
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m_mobRatMix[k] = m_mobRatMixModel[k]->getMixTransProp( m_mobRatTempDep_Ns[k] );
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m_mobRatMixIndex[k] = m_mobRatMixModelIndex[k];
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for (int k = 0; k < m_nsp2; k++){
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if(m_mobRatMixModel[k]){
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m_mobRatMix[k] = m_mobRatMixModel[k]->getMixTransProp( m_mobRatTempDep_Ns[k] );
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if ( m_mobRatMix[k] > 0 ) m_mobRatMix[k/m_nsp+m_nsp*(k%m_nsp)] = 1.0/m_mobRatMix[k]; // Also must be off diagonal: k%(1+n)!=0, but then m_mobRatMixModel[k] shouldn't be initialized anyway
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}
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}
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}
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for (int k = 0; k < m_nBinInt; k++){
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for (int k = 0; k < m_nsp2; k++){
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mobRat[k] = m_mobRatMix[k];
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mobRatIndex[k]= m_mobRatMixIndex[k];
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}
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}
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void LiquidTransport:: mobilityRatio(doublereal* mobRat, std::vector<std::string>& mobRatIndex) {
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update_T();
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update_C();
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////// LiquidTranInteraction method
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if (!m_mobRat_mix_ok){
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for (int k = 0; k < m_nBinInt; k++){
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if ( m_mobRatMixModelIndex[k] != m_mobRatTempDepIndex[k] )
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throw CanteraError("LiquidTransport::mobilityRatio","Mobility Ratio Indices Don't Match: Mixture vs. Species");
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m_mobRatMix[k] = m_mobRatMixModel[k]->getMixTransProp( m_mobRatTempDep_Ns[k] );
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m_mobRatMixIndex[k] = m_mobRatMixModelIndex[k];
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}
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}
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for (int k = 0; k < m_nBinInt; k++){
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mobRat[k] = m_mobRatMix[k];
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mobRatIndex[k]= m_mobRatMixIndex[k];
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}
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}
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@ -619,26 +571,15 @@ namespace Cantera {
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* @param mobRat array of length "number of species"
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* to hold returned mobility ratio.
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*/
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void LiquidTransport::getSpeciesMobilityRatio(DenseMatrix& mobRat, std::vector<std::string>& mobRatIndex) {
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void LiquidTransport::getSpeciesMobilityRatio(doublereal** mobRat) {
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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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mobRat = m_mobRatSpecies;
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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 k=0; k<m_nsp2; 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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@ -673,10 +614,6 @@ namespace Cantera {
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update_C();
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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",
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"Self Diffusion Indices Don't Match: Mixture vs. Species");
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}
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m_selfDiffMix[k] = m_selfDiffMixModel[k]->getMixTransProp(m_selfDiffTempDep_Ns[k]);
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}
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}
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@ -694,16 +631,7 @@ namespace Cantera {
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* @param selfDiff array of size "number of species"^2
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* to hold returned self diffusion.
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*/
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void LiquidTransport::getSpeciesSelfDiffusion(DenseMatrix& selfDiff, std::vector<std::string>& selfDiffIndex) {
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update_T();
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if (!m_selfDiff_temp_ok) {
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updateSelfDiffusion_T();
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}
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selfDiff = m_selfDiffSpecies;
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for (int k = 0; k < m_nsp; k++)
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selfDiffIndex[k] = m_selfDiffSpeciesIndex[k];
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}
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void LiquidTransport::getSpeciesSelfDiffusion(doublereal** selfDiff, std::vector<std::string>& selfDiffIndex) {
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void LiquidTransport::getSpeciesSelfDiffusion(doublereal** selfDiff) {
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update_T();
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if (!m_selfDiff_temp_ok) {
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updateSelfDiffusion_T();
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@ -711,7 +639,6 @@ namespace Cantera {
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for (int k=0; k<m_nsp; k++){
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for (int j=0; j < m_nsp; j++)
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selfDiff[k][j] = m_selfDiffSpecies(k,j);
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selfDiffIndex[k] = m_selfDiffSpeciesIndex[k];
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}
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}
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@ -1511,11 +1438,10 @@ namespace Cantera {
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int k;
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int j;
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for (k = 0; k < m_nBinInt; k++) {
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for (k = 0; k < m_nsp2; k++) {
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for (j = 0; j < m_nsp; j++) {
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m_mobRatSpecies(k,j) = m_mobRatTempDep_Ns[k][j]->getSpeciesTransProp() ;
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}
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m_mobRatSpeciesIndex[k] = m_mobRatTempDepIndex[k];
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}
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m_mobRat_temp_ok = true;
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m_mobRat_mix_ok = false;
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@ -1537,11 +1463,10 @@ namespace Cantera {
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int k;
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int j;
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for (k = 0; k < m_nBinInt; k++) {
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for (k = 0; k < m_nsp2; k++) {
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for (j = 0; j < m_nsp; j++) {
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m_selfDiffSpecies(k,j) = m_selfDiffTempDep_Ns[k][j]->getSpeciesTransProp() ;
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}
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m_selfDiffSpeciesIndex[k] = m_selfDiffTempDepIndex[k];
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}
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m_selfDiff_temp_ok = true;
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m_selfDiff_mix_ok = false;
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@ -205,8 +205,7 @@ namespace Cantera {
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* These in turn employ subclasses of LTPspecies to
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* determine the individual species mobility ratios.
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*/
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virtual void mobilityRatio(vector_fp& mobRat, std::vector<std::string>& mobRatIndex);
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virtual void mobilityRatio(double* mobRat, std::vector<std::string>& mobRatIndex);
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virtual void mobilityRatio(double* mobRat);
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//! Returns the pure species mobility ratios for all species
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/*!
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@ -217,8 +216,7 @@ namespace Cantera {
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* @param mobRat array of length "number of species"
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* to hold returned mobility ratios.
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*/
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virtual void getSpeciesMobilityRatio(DenseMatrix& mobRat, std::vector<std::string>& mobRatIndex);
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virtual void getSpeciesMobilityRatio(double** mobRat, std::vector<std::string>& mobRatIndex);
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virtual void getSpeciesMobilityRatio(double** mobRat);
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//! Returns the self diffusion coefficients of the species in the phase
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/*!
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@ -257,8 +255,7 @@ namespace Cantera {
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* @param selfDiff array of length "number of species"
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* to hold returned self diffusion coeffs.
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*/
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virtual void getSpeciesSelfDiffusion(DenseMatrix& selfDiff, std::vector<std::string>& selfDiffIndex);
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virtual void getSpeciesSelfDiffusion(double** selfDiff, std::vector<std::string>& selfDiffIndex);
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virtual void getSpeciesSelfDiffusion(double** selfDiff);
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//! Returns the hydrodynamic radius for all species
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/*!
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@ -885,7 +882,7 @@ namespace Cantera {
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int m_nsp;
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int m_nBinInt;
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int m_nsp2;
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//! Minimum temperature applicable to the transport property eval
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doublereal m_tmin;
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@ -944,7 +941,6 @@ namespace Cantera {
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*/
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typedef std::vector<LTPspecies*> LTPvector;
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std::vector<LTPvector> m_mobRatTempDep_Ns;
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std::vector<std::string> m_mobRatTempDepIndex;
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//! Mobility ratio of the mixture expressed as a subclass of
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//! LiquidTranInteraction
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@ -954,7 +950,6 @@ namespace Cantera {
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* TransportFactory::getLiquidInteractionsTransportData().
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*/
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std::vector<LiquidTranInteraction*> m_mobRatMixModel;
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std::vector<std::string> m_mobRatMixModelIndex;
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//! Self Diffusion for each species expressed as an appropriate subclass
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//! of LTPspecies
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@ -964,7 +959,6 @@ namespace Cantera {
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* TransportFactory::getLiquidSpeciesTransportData().
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*/
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std::vector<LTPvector> m_selfDiffTempDep_Ns;
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std::vector<std::string> m_selfDiffTempDepIndex;
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//! Self Diffusion of the mixture expressed as a subclass of
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//! LiquidTranInteraction
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@ -974,7 +968,6 @@ namespace Cantera {
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* TransportFactory::getLiquidInteractionsTransportData().
|
||||
*/
|
||||
std::vector<LiquidTranInteraction*> m_selfDiffMixModel;
|
||||
std::vector<std::string> m_selfDiffMixModelIndex;
|
||||
|
||||
//! Thermal conductivity for each species expressed as an
|
||||
//! appropriate subclass of LTPspecies
|
||||
|
|
@ -1184,7 +1177,6 @@ namespace Cantera {
|
|||
* controlling update boolean -> m_mobRat_temp_ok
|
||||
*/
|
||||
DenseMatrix m_mobRatSpecies;
|
||||
std::vector<std::string> m_mobRatSpeciesIndex;
|
||||
|
||||
//! Internal value of the species self diffusion coefficients
|
||||
/*!
|
||||
|
|
@ -1196,7 +1188,6 @@ namespace Cantera {
|
|||
* controlling update boolean -> m_selfDiff_temp_ok
|
||||
*/
|
||||
DenseMatrix m_selfDiffSpecies;
|
||||
std::vector<std::string> m_selfDiffSpeciesIndex;
|
||||
|
||||
//! Internal value of the species individual thermal conductivities
|
||||
/*!
|
||||
|
|
@ -1332,8 +1323,6 @@ namespace Cantera {
|
|||
|
||||
//! Saved values of the mixture mobility ratios
|
||||
vector_fp m_mobRatMix;
|
||||
//! Saved species index of the mixture correlated to mobility ratios
|
||||
std::vector<std::string> m_mobRatMixIndex;
|
||||
|
||||
//! Saved values of the mixture self diffusion coefficients
|
||||
vector_fp m_selfDiffMix;
|
||||
|
|
|
|||
|
|
@ -79,9 +79,7 @@ namespace Cantera {
|
|||
viscosity = right.viscosity;
|
||||
ionConductivity = right.ionConductivity;
|
||||
mobilityRatio = right.mobilityRatio;
|
||||
mobRatIndex = right.mobRatIndex;
|
||||
selfDiffusion = right.selfDiffusion;
|
||||
selfDiffIndex = right.selfDiffIndex;
|
||||
thermalCond = right.thermalCond;
|
||||
electCond = right.electCond;
|
||||
speciesDiffusivity = right.speciesDiffusivity;
|
||||
|
|
|
|||
|
|
@ -205,11 +205,9 @@ namespace Cantera {
|
|||
|
||||
//! Model type for the mobility ratio
|
||||
std::vector<LTPspecies*> mobilityRatio;
|
||||
std::vector<std::string> mobRatIndex;
|
||||
|
||||
//! Model type for the self diffusion coefficients
|
||||
std::vector<LTPspecies*> selfDiffusion;
|
||||
std::vector<std::string> selfDiffIndex;
|
||||
|
||||
//! Model type for the thermal conductivity
|
||||
LTPspecies* thermalCond;
|
||||
|
|
|
|||
|
|
@ -612,7 +612,7 @@ namespace Cantera {
|
|||
|
||||
void LTI_StefanMaxwell_PPN::setParameters( LiquidTransportParams& trParam ) {
|
||||
int nsp = m_thermo->nSpecies();
|
||||
int nBinInt = nsp*(nsp-1)/2;
|
||||
int nsp2 = nsp*nsp;
|
||||
//vector<std
|
||||
|
||||
m_ionCondMix = 0;
|
||||
|
|
@ -620,32 +620,28 @@ namespace Cantera {
|
|||
//trParam.ionConductivity = 0;
|
||||
m_ionCondSpecies.resize(nsp,0);
|
||||
m_mobRatMix.resize(nsp,nsp,0.0);
|
||||
m_mobRatMixModel.resize(nBinInt);
|
||||
m_mobRatSpecies.resize(nBinInt);
|
||||
m_mobRatIndex.resize(nBinInt);
|
||||
m_mobRatMixModel.resize(nsp2);
|
||||
m_mobRatSpecies.resize(nsp2);
|
||||
m_selfDiffMix.resize(nsp,0.0);
|
||||
m_selfDiffMixModel.resize(nsp);
|
||||
m_selfDiffSpecies.resize(nsp);
|
||||
m_selfDiffIndex.resize(nsp);
|
||||
|
||||
for ( int k = 0; k < nBinInt; k++ ) {
|
||||
for ( int k = 0; k < nsp2; k++ ) {
|
||||
m_mobRatMixModel[k] = trParam.mobilityRatio[k];
|
||||
//trParam.mobilityRatio[k] = 0;
|
||||
m_mobRatSpecies[k].resize(nsp,0);
|
||||
m_mobRatIndex[k] = trParam.mobRatIndex[k];
|
||||
}
|
||||
for ( int k = 0; k < nsp; k++ ) {
|
||||
m_selfDiffMixModel[k] = trParam.selfDiffusion[k];
|
||||
//trParam.selfDiffusion[k] = 0;
|
||||
m_selfDiffSpecies[k].resize(nsp,0);
|
||||
m_selfDiffIndex[k] = trParam.selfDiffIndex[k];
|
||||
}
|
||||
|
||||
for (int k = 0; k < nsp; k++) {
|
||||
Cantera::LiquidTransportData <d = trParam.LTData[k];
|
||||
m_ionCondSpecies[k] = ltd.ionConductivity;
|
||||
//ltd.ionConductivity = 0;
|
||||
for ( int j = 0; j < nBinInt; j++ ){
|
||||
for ( int j = 0; j < nsp2; j++ ){
|
||||
m_mobRatSpecies[j][k] = ltd.mobilityRatio[j];
|
||||
//ltd.mobilityRatio[j] = 0;
|
||||
}
|
||||
|
|
@ -690,7 +686,7 @@ namespace Cantera {
|
|||
int i, j, k;
|
||||
int nsp = m_thermo->nSpecies();
|
||||
if (nsp != 3) throw CanteraError("LTI_StefanMaxwell_PPN::getMatrixTransProp","Function may only be called with a 3-ion system");
|
||||
int nBinInt = nsp*(nsp-1)/2;
|
||||
int nsp2 = nsp*nsp;
|
||||
doublereal temp = m_thermo->temperature();
|
||||
doublereal molefracs[nsp];
|
||||
m_thermo->getMoleFractions( molefracs );
|
||||
|
|
@ -726,42 +722,20 @@ namespace Cantera {
|
|||
MargulesVPSSTP * marg_thermo = dynamic_cast<MargulesVPSSTP *> (ions_thermo->neutralMoleculePhase_);
|
||||
doublereal vol = m_thermo->molarVolume();
|
||||
|
||||
typedef std::vector<int> intVec;
|
||||
std::vector<intVec> mobRatIndexMap;
|
||||
mobRatIndexMap.resize(nsp);
|
||||
for ( k = 0; k < nsp; k++ )
|
||||
mobRatIndexMap[k].resize(nsp,0);
|
||||
|
||||
for ( k = 0; k < nBinInt; k++ ) {
|
||||
bool missingIndex = 1;
|
||||
k = 0;
|
||||
for ( j = 0; j < nsp; j++ ) {
|
||||
for ( i = 0; i < nsp; i++ ) {
|
||||
for ( j = 0; j < i; j++ ) {
|
||||
if ( (speciesNames[i] + ":" + speciesNames[j]) == m_mobRatIndex[k] ) {
|
||||
mobRatIndexMap[i][j] = k;
|
||||
m_mobRatMix(i,j) = m_mobRatMixModel[k]->getMixTransProp( m_mobRatSpecies[k] );
|
||||
if ( m_mobRatMix(i,j) > 0 ) m_mobRatMix(j,i) = 1.0/m_mobRatMix(i,j);
|
||||
missingIndex = 0;
|
||||
break;
|
||||
}
|
||||
else if ( (speciesNames[j] + ":" + speciesNames[i]) == m_mobRatIndex[k] ) {
|
||||
m_mobRatMix(j,i) = m_mobRatMixModel[k]->getMixTransProp( m_mobRatSpecies[k] );
|
||||
if ( m_mobRatMix(j,i) > 0 ) m_mobRatMix(i,j) = 1.0/m_mobRatMix(j,i);
|
||||
missingIndex = 0;
|
||||
break;
|
||||
}
|
||||
if (m_mobRatMixModel[k]) {
|
||||
m_mobRatMix(i,j) = m_mobRatMixModel[k]->getMixTransProp( m_mobRatSpecies[k] );
|
||||
if ( m_mobRatMix(i,j) > 0 ) m_mobRatMix(j,i) = 1.0/m_mobRatMix(i,j);
|
||||
}
|
||||
k++;
|
||||
}
|
||||
if ( missingIndex ) throw CanteraError("LTI_StefanMaxwell_PPN::getMixTransProp","Incorrect names for mobility ratio of " + m_mobRatIndex[k] + " rather than i.e. " + speciesNames[0] + ":" + speciesNames[1]);
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
for ( k = 0; k < nsp; k++ ){
|
||||
j = 0;
|
||||
while (m_selfDiffIndex[k] != speciesNames[j]) {
|
||||
j++;
|
||||
if (j == nsp) throw CanteraError("LTI_StefanMaxwell_PPN::getMixTransProp","Incorrect names for self diffusion of " + m_selfDiffIndex[k] + " rather than i.e. " + speciesNames[0]);
|
||||
}
|
||||
m_selfDiffMix[j] = m_selfDiffMixModel[k]->getMixTransProp( m_selfDiffSpecies[k] );
|
||||
m_selfDiffMix[k] = m_selfDiffMixModel[k]->getMixTransProp( m_selfDiffSpecies[k] );
|
||||
}
|
||||
|
||||
/*
|
||||
|
|
|
|||
|
|
@ -221,9 +221,7 @@ namespace Cantera {
|
|||
LiquidTranInteraction* viscosity;
|
||||
LiquidTranInteraction* ionConductivity;
|
||||
std::vector<LiquidTranInteraction*> mobilityRatio;
|
||||
std::vector<std::string> mobRatIndex;
|
||||
std::vector<LiquidTranInteraction*> selfDiffusion;
|
||||
std::vector<std::string> selfDiffIndex;
|
||||
LiquidTranInteraction* thermalCond;
|
||||
LiquidTranInteraction* speciesDiffusivity;
|
||||
LiquidTranInteraction* electCond;
|
||||
|
|
@ -603,12 +601,10 @@ namespace Cantera {
|
|||
DenseMatrix m_mobRatMix;
|
||||
std::vector<LiquidTranInteraction*> m_mobRatMixModel;
|
||||
std::vector<LTPvector> m_mobRatSpecies;
|
||||
std::vector<std::string> m_mobRatIndex;
|
||||
|
||||
std::vector<LiquidTranInteraction*> m_selfDiffMixModel;
|
||||
vector_fp m_selfDiffMix;
|
||||
std::vector<LTPvector> m_selfDiffSpecies;
|
||||
std::vector<std::string> m_selfDiffIndex;
|
||||
};
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -79,8 +79,7 @@ namespace Cantera {
|
|||
* - VB_MASSAVG Diffusion velocities are based on the mass averaged velocity
|
||||
* - VB_MOLEAVG Diffusion velocities are based on the mole averaged velocities
|
||||
* - VB_SPECIES_0 Diffusion velocities are based on the relative motion wrt species 0
|
||||
* - VB_SPECIES_1 Diffusion velocities are based on the relative motion wrt species 1
|
||||
* - VB_SPECIES_2 Diffusion velocities are based on the relative motion wrt species 2
|
||||
* - ...
|
||||
* - VB_SPECIES_3 Diffusion velocities are based on the relative motion wrt species 3
|
||||
*
|
||||
* @ingroup tranprops
|
||||
|
|
@ -162,7 +161,8 @@ namespace Cantera {
|
|||
* - VB_MASSAVG Diffusion velocities are based on the mass averaged velocity
|
||||
* - VB_MOLEAVG Diffusion velocities are based on the mole averaged velocities
|
||||
* - VB_SPECIES_0 Diffusion velocities are based on the relative motion wrt species 0
|
||||
* - VB_SPECIES_1 Diffusion velocities are based on the relative motion wrt species 1
|
||||
* - ...
|
||||
* - VB_SPECIES_3 Diffusion velocities are based on the relative motion wrt species 3
|
||||
*
|
||||
* All transport managers specify a default reference velocity in their default constructors.
|
||||
* All gas phase transport managers by default specify the mass-averaged velocity as their
|
||||
|
|
@ -334,9 +334,7 @@ namespace Cantera {
|
|||
/**
|
||||
* The mobility ratio.
|
||||
*/
|
||||
virtual void mobilityRatio(vector_fp& mobRat, std::vector<std::string>& mobRatIndex)
|
||||
{ err("mobilityRatio"); }
|
||||
virtual void mobilityRatio(double* mobRat, std::vector<std::string>& mobRatIndex)
|
||||
virtual void mobilityRatio(double* mobRat)
|
||||
{ err("mobilityRatio"); }
|
||||
|
||||
//! Returns the pure species limit of the mobility ratios
|
||||
|
|
@ -345,9 +343,7 @@ namespace Cantera {
|
|||
*
|
||||
* @param mobRat Vector of mobility ratios
|
||||
*/
|
||||
virtual void getSpeciesMobilityRatio(DenseMatrix& mobRat, std::vector<std::string>& mobRatIndex)
|
||||
{ err("getSpeciesMobilityRatio"); }
|
||||
virtual void getSpeciesMobilityRatio(double** mobRat, std::vector<std::string>& mobRatIndex)
|
||||
virtual void getSpeciesMobilityRatio(double** mobRat)
|
||||
{ err("getSpeciesMobilityRatio"); }
|
||||
|
||||
//! Returns the self diffusion coefficients of the species in the phase
|
||||
|
|
@ -389,9 +385,7 @@ namespace Cantera {
|
|||
* @param selfDiff array of length "number of species"
|
||||
* to hold returned self diffusion coeffs.
|
||||
*/
|
||||
virtual void getSpeciesSelfDiffusion(DenseMatrix& selfDiff, std::vector<std::string>& selfDiffIndex)
|
||||
{ err("getSpeciesSelfDiffusion"); }
|
||||
virtual void getSpeciesSelfDiffusion(double** selfDiff, std::vector<std::string>& selfDiffIndex)
|
||||
virtual void getSpeciesSelfDiffusion(double** selfDiff)
|
||||
{ err("getSpeciesSelfDiffusion"); }
|
||||
|
||||
//! Returns the mixture thermal conductivity in W/m/K.
|
||||
|
|
|
|||
|
|
@ -42,6 +42,7 @@
|
|||
#include "ctml.h"
|
||||
|
||||
#include <cstdio>
|
||||
#include <cstring>
|
||||
|
||||
//using namespace std;
|
||||
|
||||
|
|
@ -982,10 +983,9 @@ namespace Cantera {
|
|||
// and then insertion into LiquidTransportData objects below.
|
||||
LiquidTransportData data;
|
||||
data.speciesName = name;
|
||||
data.mobRatIndex.resize(nBinInt,"");
|
||||
data.mobilityRatio.resize(nBinInt,0);
|
||||
data.selfDiffIndex.resize(nsp,"");
|
||||
data.mobilityRatio.resize(nsp*nsp,0);
|
||||
data.selfDiffusion.resize(nsp,0);
|
||||
ThermoPhase *temp_thermo = trParam.thermo;
|
||||
|
||||
int num = trNode.nChildren();
|
||||
for (int iChild = 0; iChild < num; iChild++) {
|
||||
|
|
@ -994,18 +994,21 @@ namespace Cantera {
|
|||
|
||||
switch (m_tranPropMap[nodeName]) {
|
||||
case TP_VISCOSITY:
|
||||
data.viscosity = newLTP(xmlChild, name, m_tranPropMap[nodeName], trParam.thermo );
|
||||
data.viscosity = newLTP(xmlChild, name, m_tranPropMap[nodeName], temp_thermo );
|
||||
break;
|
||||
case TP_IONCONDUCTIVITY:
|
||||
data.ionConductivity = newLTP(xmlChild, name, m_tranPropMap[nodeName], trParam.thermo);
|
||||
data.ionConductivity = newLTP(xmlChild, name, m_tranPropMap[nodeName], temp_thermo);
|
||||
break;
|
||||
case TP_MOBILITYRATIO:
|
||||
{
|
||||
for (int iSpec = 0; iSpec< nBinInt; iSpec++){
|
||||
XML_Node &propSpecNode = xmlChild.child(iSpec);
|
||||
std::string specName = propSpecNode.name();
|
||||
data.mobRatIndex[iSpec] = specName;
|
||||
data.mobilityRatio[iSpec] = newLTP(propSpecNode, name, m_tranPropMap[nodeName], trParam.thermo);
|
||||
size_t loc = specName.find(":");
|
||||
std::string firstSpec = specName.substr(0,loc);
|
||||
std::string secondSpec = specName.substr(loc+1);
|
||||
int index = temp_thermo->speciesIndex(firstSpec.c_str())+nsp*temp_thermo->speciesIndex(secondSpec.c_str());
|
||||
data.mobilityRatio[index] = newLTP(propSpecNode, name, m_tranPropMap[nodeName], temp_thermo);
|
||||
};
|
||||
};
|
||||
break;
|
||||
|
|
@ -1014,8 +1017,8 @@ namespace Cantera {
|
|||
for (int iSpec = 0; iSpec< nsp; iSpec++){
|
||||
XML_Node &propSpecNode = xmlChild.child(iSpec);
|
||||
std::string specName = propSpecNode.name();
|
||||
data.selfDiffIndex[iSpec] = specName;
|
||||
data.selfDiffusion[iSpec] = newLTP(propSpecNode, name, m_tranPropMap[nodeName], trParam.thermo);
|
||||
int index = temp_thermo->speciesIndex(specName.c_str());
|
||||
data.selfDiffusion[index] = newLTP(propSpecNode, name, m_tranPropMap[nodeName], temp_thermo);
|
||||
};
|
||||
};
|
||||
break;
|
||||
|
|
@ -1023,25 +1026,25 @@ namespace Cantera {
|
|||
data.thermalCond = newLTP(xmlChild,
|
||||
name,
|
||||
m_tranPropMap[nodeName],
|
||||
trParam.thermo );
|
||||
temp_thermo );
|
||||
break;
|
||||
case TP_DIFFUSIVITY:
|
||||
data.speciesDiffusivity = newLTP(xmlChild,
|
||||
name,
|
||||
m_tranPropMap[nodeName],
|
||||
trParam.thermo );
|
||||
temp_thermo );
|
||||
break;
|
||||
case TP_HYDRORADIUS:
|
||||
data.hydroRadius = newLTP(xmlChild,
|
||||
name,
|
||||
m_tranPropMap[nodeName],
|
||||
trParam.thermo );
|
||||
temp_thermo );
|
||||
break;
|
||||
case TP_ELECTCOND:
|
||||
data.electCond = newLTP(xmlChild,
|
||||
name,
|
||||
m_tranPropMap[nodeName],
|
||||
trParam.thermo );
|
||||
temp_thermo );
|
||||
|
||||
break;
|
||||
default:
|
||||
|
|
@ -1103,10 +1106,9 @@ namespace Cantera {
|
|||
XML_Node &tranTypeNode = transportNode.child(iChild);
|
||||
std::string nodeName = tranTypeNode.name();
|
||||
|
||||
trParam.mobRatIndex.resize(nBinInt,"");
|
||||
trParam.mobilityRatio.resize(nBinInt,0);
|
||||
trParam.selfDiffIndex.resize(nsp,"");
|
||||
trParam.mobilityRatio.resize(nsp*nsp,0);
|
||||
trParam.selfDiffusion.resize(nsp,0);
|
||||
ThermoPhase *temp_thermo = trParam.thermo;
|
||||
|
||||
if (tranTypeNode.hasChild("compositionDependence")) {
|
||||
//compDepNode contains the interaction model
|
||||
|
|
@ -1123,25 +1125,26 @@ namespace Cantera {
|
|||
break;
|
||||
case TP_MOBILITYRATIO:
|
||||
{
|
||||
int iSpec;
|
||||
for (iSpec = 0; iSpec< nBinInt; iSpec++){
|
||||
for (int iSpec = 0; iSpec< nBinInt; iSpec++){
|
||||
XML_Node &propSpecNode = compDepNode.child(iSpec);
|
||||
std::string specName = propSpecNode.name();
|
||||
trParam.mobRatIndex[iSpec] = specName;
|
||||
trParam.mobilityRatio[iSpec] = newLTI( propSpecNode,
|
||||
m_tranPropMap[nodeName],
|
||||
string specName = propSpecNode.name();
|
||||
size_t loc = specName.find(":");
|
||||
string firstSpec = specName.substr(0,loc);
|
||||
string secondSpec = specName.substr(loc+1);
|
||||
int index = temp_thermo->speciesIndex(firstSpec.c_str())+nsp*temp_thermo->speciesIndex(secondSpec.c_str());
|
||||
trParam.mobilityRatio[index] = newLTI( propSpecNode,
|
||||
m_tranPropMap[nodeName],
|
||||
trParam );
|
||||
};
|
||||
};
|
||||
break;
|
||||
case TP_SELFDIFFUSION:
|
||||
{
|
||||
int iSpec;
|
||||
for (iSpec = 0; iSpec< nsp; iSpec++){
|
||||
for (int iSpec = 0; iSpec< nsp; iSpec++){
|
||||
XML_Node &propSpecNode = compDepNode.child(iSpec);
|
||||
std::string specName = propSpecNode.name();
|
||||
trParam.selfDiffIndex[iSpec] = specName;
|
||||
trParam.selfDiffusion[iSpec] = newLTI( propSpecNode,
|
||||
string specName = propSpecNode.name();
|
||||
int index = temp_thermo->speciesIndex(specName.c_str());
|
||||
trParam.selfDiffusion[index] = newLTI( propSpecNode,
|
||||
m_tranPropMap[nodeName],
|
||||
trParam );
|
||||
};
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue