research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Starting to refactor LiquidTransport interactions.

Browse source 
Added new file LiquidTransportParams.cpp.
This commit is contained in:
John Hewson 2009-11-23 21:16:42 +00:00
parent 6cfc37c1ec
commit 6286be3661
8 changed files with 371 additions and 163 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

12
Cantera/src/transport/LiquidTransport.cpp
View file

@ -36,9 +36,9 @@ namespace Cantera {
m_nsp(0),
m_tmin(-1.0),
m_tmax(100000.),
m_viscMixModel(LTR_MIXMODEL_NOTSET),
m_lambdaMixModel(LTR_MIXMODEL_NOTSET),
m_diffMixModel(LTR_MIXMODEL_NOTSET),
m_viscMixModel(LTI_MODEL_NOTSET),
m_lambdaMixModel(LTI_MODEL_NOTSET),
m_diffMixModel(LTI_MODEL_NOTSET),
m_iStateMF(-1),
m_temp(-1.0),
m_logt(0.0),
@ -373,19 +373,19 @@ namespace Cantera {
/* We still need to implement interaction parameters */
/* This constant viscosity model has no input */
if (m_viscMixModel == LTR_MIXMODEL_NOTSET) {
if (m_viscMixModel == LTI_MODEL_NOTSET) {
err("A viscosity mixing model must be implemented for LiquidTransport.");
//return m_viscmix;
} else if (m_viscMixModel == LTR_MIXMODEL_MOLEFRACS) {
} else if (m_viscMixModel == LTI_MODEL_MOLEFRACS) {
m_viscmix = dot_product(m_viscSpecies, m_molefracs) ;
for ( int i = 0; i < m_nsp; i++ )
for ( int j = 0; j < i; j++ )
m_viscmix += m_molefracs[i] * m_molefracs[j] * m_visc_Sij(i,j) ;
} else if (m_viscMixModel == LTR_MIXMODEL_LOG_MOLEFRACS) {
} else if (m_viscMixModel == LTI_MODEL_LOG_MOLEFRACS) {
// log_visc_mix = sum_i (X_i log_visc_i) + sum_i sum_j X_i X_j G_ij
double interaction = dot_product(m_logViscSpecies, m_molefracs);

84
Cantera/src/transport/LiquidTransportData.cpp
View file

@ -79,11 +79,12 @@ namespace Cantera {
LTPspecies& LTPspecies::operator=(const LTPspecies& right )
{
if (&right != this) {
speciesName = right.speciesName;
property = right.property;
model = right.model;
coeffs = right.coeffs;
m_thermo = right.m_thermo;
m_speciesName = right.m_speciesName;
m_property = right.m_property;
m_model = right.m_model;
m_coeffs = right.m_coeffs;
m_thermo = right.m_thermo;
m_mixWeight = right.m_mixWeight;
}
return *this;
}
@ -101,10 +102,10 @@ namespace Cantera {
thermo_t* thermo ) :
LTPspecies( propNode, name, tp_ind, thermo)
{
model = LTR_MODEL_CONSTANT;
m_model = LTR_MODEL_CONSTANT;
double A_k = getFloatCurrent(propNode, "toSI");
if (A_k > 0.0) {
coeffs.push_back(A_k);
m_coeffs.push_back(A_k);
} else throw LTPError("negative or zero " + propNode.name() );
}
@ -120,18 +121,19 @@ namespace Cantera {
{
if (&right != this) {
//LTPspecies::operator=(right);
speciesName = right.speciesName;
property = right.property;
model = right.model;
coeffs = right.coeffs;
m_thermo = right.m_thermo;
m_speciesName = right.m_speciesName;
m_property = right.m_property;
m_model = right.m_model;
m_coeffs = right.m_coeffs;
m_thermo = right.m_thermo;
m_mixWeight = right.m_mixWeight;
}
return *this;
}
//! Return the (constant) value for this transport property
doublereal LTPspecies_Const::getSpeciesTransProp( ) {
return coeffs[0];
return m_coeffs[0];
}
///////////////////////////////////////////////////////////////
@ -148,17 +150,17 @@ namespace Cantera {
thermo_t* thermo ) :
LTPspecies( propNode, name, tp_ind, thermo)
{
model = LTR_MODEL_ARRHENIUS;
m_model = LTR_MODEL_ARRHENIUS;
doublereal A_k, n_k, Tact_k;
getArrhenius(propNode, A_k, n_k, Tact_k);
if (A_k <= 0.0) {
throw LTPError("negative or zero " + propNode.name() );
}
coeffs.push_back( A_k );
coeffs.push_back( n_k );
coeffs.push_back( Tact_k );
coeffs.push_back( log( A_k ) );
m_coeffs.push_back( A_k );
m_coeffs.push_back( n_k );
m_coeffs.push_back( Tact_k );
m_coeffs.push_back( log( A_k ) );
}
//! Copy constructor
@ -173,11 +175,12 @@ namespace Cantera {
{
if (&right != this) {
// LTPspecies::operator=(right);
speciesName = right.speciesName;
property = right.property;
model = right.model;
coeffs = right.coeffs;
m_thermo = right.m_thermo;
m_speciesName = right.m_speciesName;
m_property = right.m_property;
m_model = right.m_model;
m_coeffs = right.m_coeffs;
m_thermo = right.m_thermo;
m_mixWeight = right.m_mixWeight;
m_temp = right.m_temp;
m_logt = right.m_logt;
@ -208,18 +211,18 @@ namespace Cantera {
doublereal LTPspecies_Arrhenius::getSpeciesTransProp( ) {
doublereal t = m_thermo->temperature();
//coeffs[0] holds A
//coeffs[1] holds n
//coeffs[2] holds Tact
//coeffs[3] holds log(A)
//m_coeffs[0] holds A
//m_coeffs[1] holds n
//m_coeffs[2] holds Tact
//m_coeffs[3] holds log(A)
if (t != m_temp) {
m_temp = t;
m_logt = log(m_temp);
//For viscosity the sign convention on positive activation energy is swithced
if ( property == TP_VISCOSITY )
m_logProp = coeffs[3] + coeffs[1] * m_logt + coeffs[2] / m_temp ;
if ( m_property == TP_VISCOSITY )
m_logProp = m_coeffs[3] + m_coeffs[1] * m_logt + m_coeffs[2] / m_temp ;
else
m_logProp = coeffs[3] + coeffs[1] * m_logt - coeffs[2] / m_temp ;
m_logProp = m_coeffs[3] + m_coeffs[1] * m_logt - m_coeffs[2] / m_temp ;
m_prop = exp( m_logProp );
}
return m_prop;
@ -244,12 +247,12 @@ namespace Cantera {
thermo_t* thermo ) :
LTPspecies( propNode, name, tp_ind, thermo)
{
model = LTR_MODEL_POLY;
m_model = LTR_MODEL_POLY;
getFloatArray(propNode, coeffs, true); // if units labeled, convert Angstroms -> meters
getFloatArray(propNode, m_coeffs, true); // if units labeled, convert Angstroms -> meters
if (coeffs[0] <= 0.0) {
if (m_coeffs[0] <= 0.0) {
throw LTPError("negative or zero " + propNode.name() );
}
}
@ -266,11 +269,12 @@ namespace Cantera {
{
if (&right != this) {
//LTPspecies::operator=(right);
speciesName = right.speciesName;
property = right.property;
model = right.model;
coeffs = right.coeffs;
m_thermo = right.m_thermo;
m_speciesName = right.m_speciesName;
m_property = right.m_property;
m_model = right.m_model;
m_coeffs = right.m_coeffs;
m_thermo = right.m_thermo;
m_mixWeight = right.m_mixWeight;
m_temp = right.m_temp;
m_prop = right.m_prop;
@ -285,8 +289,8 @@ namespace Cantera {
doublereal t = m_thermo->temperature();
if (t != m_temp) {
double tempN = 1.0;
for ( int i = 0; i < coeffs.size() ; i++ ) {
m_prop += coeffs[i] * tempN;
for ( int i = 0; i < m_coeffs.size() ; i++ ) {
m_prop += m_coeffs[i] * tempN;
tempN *= m_temp;
}
}

40
Cantera/src/transport/LiquidTransportData.h
View file

@ -78,13 +78,15 @@ namespace Cantera {
LTPspecies( const XML_Node &propNode = 0,
std::string name = "-",
TransportPropertyList tp_ind = TP_UNKNOWN,
thermo_t* thermo = 0 ) :
speciesName(name),
model(LTR_MODEL_NOTSET),
property(tp_ind),
m_thermo(thermo)
thermo_t* thermo = 0 ) :
m_speciesName(name),
m_model(LTR_MODEL_NOTSET),
m_property(tp_ind),
m_thermo(thermo),
m_mixWeight(1.0)
{
if ( propNode.hasChild("mixtureWeighting") )
m_mixWeight = getFloat(propNode,"mixtureWeighting");
}
//! Copy constructor
@ -104,23 +106,39 @@ namespace Cantera {
*/
virtual doublereal getSpeciesTransProp( ) { return 0.0; }
virtual bool checkPositive( ) { return ( coeffs[0] > 0 ); }
virtual bool checkPositive( ) { return ( m_coeffs[0] > 0 ); }
doublereal getMixWeight( ) {return m_mixWeight; }
protected:
std::string speciesName;
std::string m_speciesName;
//! Model type for the temperature dependence
LiquidTR_Model model;
LiquidTR_Model m_model;
//! enum indicating what property this is (i.e viscosity)
TransportPropertyList property;
TransportPropertyList m_property;
//! Model temperature-dependence ceofficients
vector_fp coeffs;
vector_fp m_coeffs;
//! pointer to thermo object to get current temperature
thermo_t* m_thermo;
//! Weighting used for mixing.
/**
* This weighting can be employed to allow salt transport
* properties to be represented by specific ions.
* For example, to have Li+ and Ca+ represent the mixing
* transport properties of LiCl and CaCl2, the weightings for
* Li+ would be 2.0, for K+ would be 3.0 and for Cl- would be 0.0.
* The tranport properties for Li+ would be those for LiCl and
* the tranport properties for Ca+ would be those for CaCl2.
* The transport properties for Cl- should be something innoccuous like
* 1.0--note that 0.0 is not innocuous if there are logarithms involved.
*/
doublereal m_mixWeight;
//! Internal model to adjust species-specific properties for composition.
/** Currently just a place holder, but this method could take
* the composition from the thermo object and adjust coefficients

112
Cantera/src/transport/LiquidTransportParams.cpp Normal file
View file

@ -0,0 +1,112 @@
/**
* @file LiquidTransportParams.cpp
* Source code for liquid mixture transport property evaluations.
*/
/*
* $Author: jchewso $
* $Date: 2009-11-22 17:34:46 -0700 (Mon, 16 Nov 2009) $
* $Revision: 261 $
*
*/
#include "LiquidTransportParams.h"
namespace Cantera {
/**
* Exception thrown if an error is encountered while reading the
* transport database.
*/
class LTPError : public CanteraError {
public:
LTPError( std::string msg )
: CanteraError("LTPspecies",
"error parsing transport data: "
+ msg + "\n") {}
};
LiquidTranInteraction::LiquidTranInteraction(
const XML_Node &compModelNode,
TransportPropertyList tp_ind,
thermo_t* thermo ) :
m_model(LTI_MODEL_NOTSET),
m_property(tp_ind),
m_thermo(thermo)
{
int nsp = thermo->nSpecies();
Aij.resize(nsp,nsp);
Dij.resize(nsp,nsp);
Eij.resize(nsp,nsp);
Sij.resize(nsp,nsp);
std::string speciesA;
std::string speciesB;
int num = compModelNode.nChildren();
for (int iChild = 0; iChild < num; iChild++) {
XML_Node &xmlChild = compModelNode.child(iChild);
std::string nodeName = lowercase( xmlChild.name() );
if ( nodeName != "interaction" )
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"expected <interaction> element and got <" + nodeName + ">" );
speciesA = xmlChild.attrib("speciesA");
speciesB = xmlChild.attrib("speciesB");
int iSpecies = m_thermo->speciesIndex( speciesA );
if ( iSpecies < 0 )
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"Unknown species " + speciesA );
int jSpecies = m_thermo->speciesIndex( speciesB );
if ( jSpecies < 0 )
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"Unknown species " + speciesB );
Aij(iSpecies,jSpecies) = getFloat( xmlChild, "Aij", "toSI" );
Aij(jSpecies,iSpecies) = Aij(iSpecies,jSpecies) ;
Eij(iSpecies,jSpecies) = getFloat( xmlChild, "Eij", "actEnergy" );
Eij(iSpecies,jSpecies) /= GasConstant;
Eij(jSpecies,iSpecies) = Eij(iSpecies,jSpecies) ;
Sij(iSpecies,jSpecies) = getFloat( xmlChild, "Sij", "toSI" );
Sij(iSpecies,jSpecies) /= GasConstant;
Sij(jSpecies,iSpecies) = Sij(iSpecies,jSpecies) ;
Dij(iSpecies,jSpecies) = getFloat( xmlChild, "Dij", "toSI" );
Dij(jSpecies,iSpecies) = Dij(iSpecies,jSpecies) ;
}
}
//! Copy constructor
LiquidTranInteraction::LiquidTranInteraction( const LiquidTranInteraction &right ) {
*this = right; //use assignment operator to do other work
}
//! Assignment operator
LiquidTranInteraction& LiquidTranInteraction::operator=( const LiquidTranInteraction &right )
{
if (&right != this) {
m_model = right.m_model;
m_property = right.m_property;
m_thermo = right.m_thermo;
}
return *this;
}
LTI_MoleFracs::LTI_MoleFracs( const XML_Node &compModelNode,
TransportPropertyList tp_ind,
thermo_t* thermo ) :
LiquidTranInteraction( compModelNode, tp_ind, thermo )
{
m_model = LTI_MODEL_MOLEFRACS;
}
} //namespace Cantera

223
Cantera/src/transport/LiquidTransportParams.h
View file

@ -75,90 +75,163 @@ namespace Cantera {
*
*/
enum LiquidTranMixingModel {
LTR_MIXMODEL_NOTSET=-1,
LTR_MIXMODEL_NONE,
LTR_MIXMODEL_SOLVENT,
LTR_MIXMODEL_MOLEFRACS,
LTR_MIXMODEL_MASSFRACS,
LTR_MIXMODEL_LOG_MOLEFRACS,
LTR_MIXMODEL_PAIRWISE_INTERACTION
LTI_MODEL_NOTSET=-1,
LTI_MODEL_NONE,
LTI_MODEL_SOLVENT,
LTI_MODEL_MOLEFRACS,
LTI_MODEL_MASSFRACS,
LTI_MODEL_LOG_MOLEFRACS,
LTI_MODEL_PAIRWISE_INTERACTION
};
/**
* Holds transport model parameters relevant to transport in
* liquids for which activated jump processes limit transport
* (giving Arrhenius type transport properties).
* Used by TransportFactory.
class LiquidTranInteraction {
public:
LiquidTranInteraction( const XML_Node &compModelNode = 0,
TransportPropertyList tp_ind = TP_UNKNOWN,
thermo_t* thermo = 0 );
//! Copy constructor
LiquidTranInteraction( const LiquidTranInteraction &right );
//! Assignment operator
LiquidTranInteraction& operator=( const LiquidTranInteraction &right );
//! destructor
virtual ~LiquidTranInteraction() { }
//! Return the mixture transport property value.
//! (Must be implemented in subclasses.)
virtual doublereal getMixTransProp( ) { return 0.0; }
protected:
//! Model for species interaction effects
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel m_model;
//! enum indicating what property this is (i.e viscosity)
TransportPropertyList m_property;
//! pointer to thermo object to get current temperature
thermo_t* m_thermo;
//! Matrix of interactions (no temperature dependence, dimensionless)
DenseMatrix Aij;
//! Matrix of interactions (in energy units, 1/RT temperature dependence)
DenseMatrix Eij;
//! Matrix of interactions (in entropy units, divided by R)
DenseMatrix Sij;
//! Matrix of interactions
DenseMatrix Dij;
};
/**
* Holds transport model parameters relevant to transport in
* liquids for which activated jump processes limit transport
* (giving Arrhenius type transport properties).
* Used by TransportFactory.
*/
class LiquidTransportParams : public TransportParams {
public:
LiquidTransportParams() {}
~LiquidTransportParams() {}
//! Species transport parameters
std::vector<Cantera::LiquidTransportData> LTData;
//! Model for species interaction effects for viscosity
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_viscosity;
//! Energies of molecular interaction associated with viscosity.
/**
* These multiply the mixture viscosity by
* \f[ \exp( \sum_{i} \sum_{j} X_i X_j ( S_{i,j} + E_{i,j} / T ) ) \f].
*
* The overall formula for the logarithm of the mixture viscosity is
*
* \f[ \ln \eta_{mix} = \sum_i X_i \ln \eta_i
* + \sum_i \sum_j X_i X_j ( S_{i,j} + E_{i,j} / T ) \f].
*/
class LiquidTransportParams :public TransportParams {
DenseMatrix visc_Eij;
//! Entropies of molecular interaction associated with viscosity.
DenseMatrix visc_Sij;
//! Model for species interaction effects for thermal conductivity
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_thermalCond;
//! Interaction associated with linear weighting of
//! thermal conductivity.
/**
* This is used for either LTI_MODEL_MASSFRACS
* or LTI_MODEL_MOLEFRACS.
* The overall formula for the mixture viscosity is
*
* \f[ \eta_{mix} = \sum_i X_i \eta_i
* + \sum_i \sum_j X_i X_j A_{i,j} \f].
*/
DenseMatrix thermalCond_Aij;
//! Model for species interaction effects for mass diffusivity
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_speciesDiffusivity;
//! Interaction associated with linear weighting of
//! thermal conductivity.
/**
* This is used for either LTI_MODEL_PAIRWISE_INTERACTION.
* These provide species interaction coefficients associated with
* the Stefan-Maxwell formulation.
*/
DenseMatrix diff_Dij;
//! Model for species interaction effects for hydrodynamic radius
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_hydroradius;
//! Interaction associated with hydrodynamic radius.
/**
* Not yet implemented
*/
DenseMatrix radius_Aij;
};
public:
class LTI_Solvent;
class LTI_MoleFracs : public LiquidTranInteraction {
LiquidTransportParams() {}
~LiquidTransportParams() {}
public:
LTI_MoleFracs( const XML_Node &compModelNode = 0,
TransportPropertyList tp_ind = TP_UNKNOWN,
thermo_t* thermo = 0 ) ;
//! Copy constructor
LTI_MoleFracs( const LTI_MoleFracs &right );
//! Assignment operator
LTI_MoleFracs& operator=( const LTI_MoleFracs &right );
virtual ~LTI_MoleFracs( ) { }
//! Return the mixture transport property value.
doublereal getMixTransProp( );
protected:
};
//! Species transport parameters
std::vector<Cantera::LiquidTransportData> LTData;
//! Model for species interaction effects for viscosity
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_viscosity;
//! Energies of molecular interaction associated with viscosity.
/**
* These multiply the mixture viscosity by
* \f[ \exp( \sum_{i} \sum_{j} X_i X_j ( S_{i,j} + E_{i,j} / T ) ) \f].
*
* The overall formula for the logarithm of the mixture viscosity is
*
* \f[ \ln \eta_{mix} = \sum_i X_i \ln \eta_i
* + \sum_i \sum_j X_i X_j ( S_{i,j} + E_{i,j} / T ) \f].
*/
DenseMatrix visc_Eij;
//! Entropies of molecular interaction associated with viscosity.
DenseMatrix visc_Sij;
//! Model for species interaction effects for thermal conductivity
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_thermalCond;
//! Interaction associated with linear weighting of
//! thermal conductivity.
/**
* This is used for either LTR_MIXMODEL_MASSFRACS
* or LTR_MIXMODEL_MOLEFRACS.
* The overall formula for the mixture viscosity is
*
* \f[ \eta_{mix} = \sum_i X_i \eta_i
* + \sum_i \sum_j X_i X_j A_{i,j} \f].
*/
DenseMatrix thermalCond_Aij;
//! Model for species interaction effects for mass diffusivity
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_speciesDiffusivity;
//! Interaction associated with linear weighting of
//! thermal conductivity.
/**
* This is used for either LTR_MIXMODEL_PAIRWISE_INTERACTION.
* These provide species interaction coefficients associated with
* the Stefan-Maxwell formulation.
*/
DenseMatrix diff_Dij;
//! Model for species interaction effects for hydrodynamic radius
//! Takes enum LiquidTranMixingModel
LiquidTranMixingModel model_hydroradius;
//! Interaction associated with hydrodynamic radius.
/**
* Not yet implemented
*/
DenseMatrix radius_Aij;
};
}
#endif

2
Cantera/src/transport/Makefile.in
View file

@ -36,7 +36,7 @@ CXX_FLAGS = @CXXFLAGS@ $(CXX_OPT) $(PIC_FLAG) $(DEBUG_FLAG)
# Base Transport Object Files
TRAN_OBJ = TransportFactory.o MultiTransport.o MixTransport.o MMCollisionInt.o \
SolidTransport.o DustyGasTransport.o TransportBase.o WaterTransport.o \
SimpleTransport.o
SimpleTransport.o LiquidTransportData.o LiquidTransportParams.o
TRAN_H = TransportFactory.h MultiTransport.h MixTransport.h \
MMCollisionInt.h SolidTransport.h DustyGasTransport.h \

60
Cantera/src/transport/TransportFactory.cpp
View file

@ -1017,22 +1017,22 @@ namespace Cantera {
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"transport::viscosity XML node doesn't have a model string");
} else if ( compositionModel == "none"){
trParam.model_viscosity = LTR_MIXMODEL_NONE;
trParam.model_viscosity = LTI_MODEL_NONE;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_NONE interactions not implemented for viscosity");
"LTI_MODEL_NONE interactions not implemented for viscosity");
} else if ( compositionModel == "solvent"){
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"solvent interactions not implemented");
} else if ( compositionModel == "moleFractions"){
trParam.model_viscosity = LTR_MIXMODEL_MOLEFRACS;
trParam.model_viscosity = LTI_MODEL_MOLEFRACS;
} else if ( compositionModel == "massFractions"){
trParam.model_viscosity = LTR_MIXMODEL_MASSFRACS;
trParam.model_viscosity = LTI_MODEL_MASSFRACS;
} else if ( compositionModel == "logMoleFractions"){
trParam.model_viscosity = LTR_MIXMODEL_LOG_MOLEFRACS;
trParam.model_viscosity = LTI_MODEL_LOG_MOLEFRACS;
} else if ( compositionModel == "pairwiseInteraction"){
trParam.model_viscosity = LTR_MIXMODEL_PAIRWISE_INTERACTION;
trParam.model_viscosity = LTI_MODEL_PAIRWISE_INTERACTION;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_PAIRWISE_INTERACTION interactions not implemented for viscosity");
"LTI_MODEL_PAIRWISE_INTERACTION interactions not implemented for viscosity");
}
int num = compositionNode.nChildren();
for (int iChild = 0; iChild < num; iChild++) {
@ -1072,24 +1072,24 @@ namespace Cantera {
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"transport::thermalConductivity XML node doesn't have a model string");
} else if ( compositionModel == "none"){
trParam.model_thermalCond = LTR_MIXMODEL_NONE;
trParam.model_thermalCond = LTI_MODEL_NONE;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_NONE interactions not implemented for thermalConductivity");
"LTI_MODEL_NONE interactions not implemented for thermalConductivity");
} else if ( compositionModel == "solvent"){
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"solvent interactions not implemented");
} else if ( compositionModel == "moleFractions"){
trParam.model_thermalCond = LTR_MIXMODEL_MOLEFRACS;
trParam.model_thermalCond = LTI_MODEL_MOLEFRACS;
} else if ( compositionModel == "massFractions"){
trParam.model_thermalCond = LTR_MIXMODEL_MASSFRACS;
trParam.model_thermalCond = LTI_MODEL_MASSFRACS;
} else if ( compositionModel == "logMoleFractions"){
trParam.model_thermalCond = LTR_MIXMODEL_LOG_MOLEFRACS;
trParam.model_thermalCond = LTI_MODEL_LOG_MOLEFRACS;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_LOG_MOLEFRACS interactions not implemented for thermalConductivity");
"LTI_MODEL_LOG_MOLEFRACS interactions not implemented for thermalConductivity");
} else if ( compositionModel == "pairwiseInteraction"){
trParam.model_thermalCond = LTR_MIXMODEL_PAIRWISE_INTERACTION;
trParam.model_thermalCond = LTI_MODEL_PAIRWISE_INTERACTION;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_PAIRWISE_INTERACTION interactions not implemented for thermalConductivity");
"LTI_MODEL_PAIRWISE_INTERACTION interactions not implemented for thermalConductivity");
}
int num = compositionNode.nChildren();
for (int iChild = 0; iChild < num; iChild++) {
@ -1127,20 +1127,20 @@ namespace Cantera {
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"transport::speciesDiffusivity XML node doesn't have a model string");
} else if ( compositionModel == "none"){
trParam.model_speciesDiffusivity = LTR_MIXMODEL_NONE;
trParam.model_speciesDiffusivity = LTI_MODEL_NONE;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_NONE interactions not implemented for speciesDiffusivity");
"LTI_MODEL_NONE interactions not implemented for speciesDiffusivity");
} else if ( compositionModel == "solvent"){
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"solvent interactions not implemented");
} else if ( compositionModel == "moleFractions"){
trParam.model_speciesDiffusivity = LTR_MIXMODEL_MOLEFRACS;
trParam.model_speciesDiffusivity = LTI_MODEL_MOLEFRACS;
} else if ( compositionModel == "massFractions"){
trParam.model_speciesDiffusivity = LTR_MIXMODEL_MASSFRACS;
trParam.model_speciesDiffusivity = LTI_MODEL_MASSFRACS;
} else if ( compositionModel == "logMoleFractions"){
trParam.model_speciesDiffusivity = LTR_MIXMODEL_LOG_MOLEFRACS;
trParam.model_speciesDiffusivity = LTI_MODEL_LOG_MOLEFRACS;
} else if ( compositionModel == "pairwiseInteraction"){
trParam.model_speciesDiffusivity = LTR_MIXMODEL_PAIRWISE_INTERACTION;
trParam.model_speciesDiffusivity = LTI_MODEL_PAIRWISE_INTERACTION;
}
int num = compositionNode.nChildren();
for (int iChild = 0; iChild < num; iChild++) {
@ -1177,26 +1177,26 @@ namespace Cantera {
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"transport::hydrodynamicRadius XML node doesn't have a model string");
} else if ( compositionModel == "none"){
trParam.model_thermalCond = LTR_MIXMODEL_NONE;
trParam.model_thermalCond = LTI_MODEL_NONE;
} else if ( compositionModel == "solvent"){
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"solvent interactions not implemented");
} else if ( compositionModel == "moleFractions"){
trParam.model_thermalCond = LTR_MIXMODEL_MOLEFRACS;
trParam.model_thermalCond = LTI_MODEL_MOLEFRACS;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_MOLEFRACS interactions not implemented for hydrodynamicRadius");
"LTI_MODEL_MOLEFRACS interactions not implemented for hydrodynamicRadius");
} else if ( compositionModel == "massFractions"){
trParam.model_thermalCond = LTR_MIXMODEL_MASSFRACS;
trParam.model_thermalCond = LTI_MODEL_MASSFRACS;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_MASSFRACS interactions not implemented for hydrodynamicRadius");
"LTI_MODEL_MASSFRACS interactions not implemented for hydrodynamicRadius");
} else if ( compositionModel == "logMoleFractions"){
trParam.model_thermalCond = LTR_MIXMODEL_LOG_MOLEFRACS;
trParam.model_thermalCond = LTI_MODEL_LOG_MOLEFRACS;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_LOG_MOLEFRACS interactions not implemented for hydrodynamicRadius");
"LTI_MODEL_LOG_MOLEFRACS interactions not implemented for hydrodynamicRadius");
} else if ( compositionModel == "pairwiseInteraction"){
trParam.model_thermalCond = LTR_MIXMODEL_PAIRWISE_INTERACTION;
trParam.model_thermalCond = LTI_MODEL_PAIRWISE_INTERACTION;
throw CanteraError("TransportFactory::getLiquidInteractionsTransportData",
"LTR_MIXMODEL_PAIRWISE_INTERACTION interactions not implemented for hydrodynamicRadius");
"LTI_MODEL_PAIRWISE_INTERACTION interactions not implemented for hydrodynamicRadius");
}
int num = compositionNode.nChildren();
for (int iChild = 0; iChild < num; iChild++) {

1
Cantera/src/transport/TransportParams.h
View file

@ -7,6 +7,7 @@
#include "TransportBase.h"
#include "xml.h"
#include "XML_Writer.h"
#include "DenseMatrix.h"
namespace Cantera {