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Corrected memory allocation for ionConductivity, mobRatio, selfDiffusion, etc. that may not be required as input.

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This commit is contained in:
Christopher Lueth 2010-03-01 23:35:35 +00:00
parent 263aeb6b35
commit 5f327277b0
4 changed files with 44 additions and 20 deletions
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11
Cantera/src/transport/LiquidTransport.cpp
View file

@ -263,6 +263,7 @@ namespace Cantera {
int k;
// constant substance attributes
m_thermo = tr.thermo;
tr.thermo = 0;
m_velocityBasis = tr.velocityBasis_;
m_nsp = m_thermo->nSpecies();
m_nBinInt = m_nsp*(m_nsp-1)/2;
@ -310,11 +311,13 @@ namespace Cantera {
//first populate mixing rules and indices
for (k = 0; k < m_nsp; k++) {
m_selfDiffMixModel[k] = tr.selfDiffusion[k];
m_selfDiffMixModel[k] = tr.selfDiffusion[k];
tr.selfDiffusion[k] = 0;
m_selfDiffMixModelIndex[k] = tr.selfDiffIndex[k];
}
for (k = 0; k < m_nBinInt; k++) {
m_mobRatMixModel[k] = tr.mobilityRatio[k];
tr.mobilityRatio[k] = 0;
m_mobRatMixModelIndex[k] = tr.mobRatIndex[k];
}
@ -322,11 +325,14 @@ namespace Cantera {
for (k = 0; k < m_nsp; k++) {
Cantera::LiquidTransportData &ltd = tr.LTData[k];
m_viscTempDep_Ns[k] = ltd.viscosity;
ltd.viscosity = 0;
m_ionCondTempDep_Ns[k] = ltd.ionConductivity;
ltd.ionConductivity = 0;
for (int j = 0; j < m_nBinInt; j++){
for (int l=0; l < m_nBinInt; l++){
if (m_mobRatMixModelIndex[j] == ltd.mobRatIndex[l]) {
m_mobRatTempDep_Ns[j][k] = ltd.mobilityRatio[l];
ltd.mobilityRatio[l] = 0;
m_mobRatTempDepIndex[j] = ltd.mobRatIndex[l];
break;
}
@ -336,13 +342,16 @@ namespace Cantera {
for (int l=0; l < (int) m_selfDiffMixModelIndex.size(); l++){
if (m_selfDiffMixModelIndex[j] == ltd.selfDiffIndex[l]) {
m_selfDiffTempDep_Ns[j][k] = ltd.selfDiffusion[l];
ltd.selfDiffusion[l] = 0;
m_selfDiffTempDepIndex[j] = ltd.selfDiffIndex[l];
break;
}
}
}
m_lambdaTempDep_Ns[k] = ltd.thermalCond;
ltd.thermalCond = 0;
m_radiusTempDep_Ns[k] = ltd.hydroRadius;
ltd.hydroRadius = 0;
}

2
Cantera/src/transport/LiquidTransportData.cpp
View file

@ -49,6 +49,7 @@ namespace Cantera {
speciesName("-"),
hydroRadius(0),
viscosity(0),
ionConductivity(0),
thermalCond(0),
electCond(0),
speciesDiffusivity(0)
@ -61,6 +62,7 @@ namespace Cantera {
speciesName("-"),
hydroRadius(0),
viscosity(0),
ionConductivity(0),
thermalCond(0),
electCond(0),
speciesDiffusivity(0)

11
Cantera/src/transport/LiquidTransportParams.cpp
View file

@ -224,7 +224,7 @@ namespace Cantera {
//====================================================================================================================
LiquidTransportParams::LiquidTransportParams() :
viscosity(0), thermalCond(0), speciesDiffusivity(0), electCond(0), hydroRadius(0), model_viscosity(LTI_MODEL_NOTSET),
viscosity(0), ionConductivity(0), thermalCond(0), speciesDiffusivity(0), electCond(0), hydroRadius(0), model_viscosity(LTI_MODEL_NOTSET),
model_speciesDiffusivity(LTI_MODEL_NOTSET), model_hydroradius(LTI_MODEL_NOTSET)
{
@ -233,6 +233,7 @@ namespace Cantera {
LiquidTransportParams::~LiquidTransportParams()
{
delete viscosity;
delete ionConductivity;
delete thermalCond;
delete speciesDiffusivity;
delete electCond;
@ -616,6 +617,7 @@ namespace Cantera {
m_ionCondMix = 0;
m_ionCondMixModel = trParam.ionConductivity;
trParam.ionConductivity = 0;
m_ionCondSpecies.resize(nsp,0);
m_mobRatMix.resize(nsp,nsp,0.0);
m_mobRatMixModel.resize(nBinInt);
@ -628,11 +630,13 @@ namespace Cantera {
for ( int k = 0; k < nBinInt; 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];
}
@ -640,11 +644,14 @@ namespace Cantera {
for (int k = 0; k < nsp; k++) {
Cantera::LiquidTransportData &ltd = trParam.LTData[k];
m_ionCondSpecies[k] = ltd.ionConductivity;
ltd.ionConductivity = 0;
for ( int j = 0; j < nBinInt; j++ ){
m_mobRatSpecies[j][k] = ltd.mobilityRatio[j];
ltd.mobilityRatio[j] = 0;
}
for ( int j = 0; j < nsp; j++ ){
m_selfDiffSpecies[j][k] = ltd.selfDiffusion[j];
m_selfDiffSpecies[j][k] = ltd.selfDiffusion[j];
ltd.selfDiffusion[j] = 0;
}
}
}

40
Cantera/src/transport/TransportFactory.cpp
View file

@ -958,7 +958,8 @@ namespace Cantera {
*/
std::map<std::string, LiquidTransportData> datatable;
int nsp = static_cast<int>(xspecies.size());
int nsp = trParam.nsp_;//static_cast<int>(xspecies.size());
int nBinInt = nsp*(nsp-1)/2;
// read all entries in database into 'datatable' and check for
// errors. Note that this procedure validates all entries, not
@ -982,6 +983,14 @@ namespace Cantera {
LiquidTransportData data;
data.speciesName = name;
//data.viscosity = 0;
//data.ionConductivity = 0;
data.mobRatIndex.resize(nBinInt,"");
data.mobilityRatio.resize(nBinInt,0);
data.selfDiffIndex.resize(nsp,"");
data.selfDiffusion.resize(nsp,0);
//////// new stuff
int num = trNode.nChildren();
for (int iChild = 0; iChild < num; iChild++) {
@ -1004,10 +1013,7 @@ namespace Cantera {
case TP_MOBILITYRATIO:
{
int iSpec;
int numSpec = xmlChild.nChildren();
data.mobRatIndex.resize(numSpec);
data.mobilityRatio.resize(numSpec);
for (iSpec = 0; iSpec< numSpec; iSpec++){
for (iSpec = 0; iSpec< nBinInt; iSpec++){
XML_Node &propSpecNode = xmlChild.child(iSpec);
std::string specName = propSpecNode.name();
data.mobRatIndex[iSpec] = specName;
@ -1021,10 +1027,7 @@ namespace Cantera {
case TP_SELFDIFFUSION:
{
int iSpec;
int numSpec = xmlChild.nChildren();
data.selfDiffIndex.resize(numSpec);
data.selfDiffusion.resize(numSpec);
for (iSpec = 0; iSpec< numSpec; iSpec++){
for (iSpec = 0; iSpec< nsp; iSpec++){
XML_Node &propSpecNode = xmlChild.child(iSpec);
std::string specName = propSpecNode.name();
data.selfDiffIndex[iSpec] = specName;
@ -1116,11 +1119,20 @@ namespace Cantera {
{
try {
int nsp = trParam.nsp_;
int nBinInt = nsp*(nsp-1)/2;
int num = transportNode.nChildren();
for (int iChild = 0; iChild < num; iChild++) {
//tranTypeNode is a type of transport property like viscosity
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.selfDiffusion.resize(nsp,0);
if ( tranTypeNode.hasChild("compositionDependence")) {
//compDepNode contains the interaction model
XML_Node &compDepNode = tranTypeNode.child("compositionDependence");
@ -1139,10 +1151,7 @@ namespace Cantera {
case TP_MOBILITYRATIO:
{
int iSpec;
int numSpec = compDepNode.nChildren();
trParam.mobRatIndex.resize(numSpec);
trParam.mobilityRatio.resize(numSpec);
for (iSpec = 0; iSpec< numSpec; iSpec++){
for (iSpec = 0; iSpec< nBinInt; iSpec++){
XML_Node &propSpecNode = compDepNode.child(iSpec);
std::string specName = propSpecNode.name();
trParam.mobRatIndex[iSpec] = specName;
@ -1155,10 +1164,7 @@ namespace Cantera {
case TP_SELFDIFFUSION:
{
int iSpec;
int numSpec = compDepNode.nChildren();
trParam.selfDiffIndex.resize(numSpec);
trParam.selfDiffusion.resize(numSpec);
for (iSpec = 0; iSpec< numSpec; iSpec++){
for (iSpec = 0; iSpec< nsp; iSpec++){
XML_Node &propSpecNode = compDepNode.child(iSpec);
std::string specName = propSpecNode.name();
trParam.selfDiffIndex[iSpec] = specName;