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The species-specific transport properties are now held in

Browse source 
vector<LTPspecies*> m_viscTempDep_Ns;
Previously they were held in two objects, the first identifying the
model type
    vector<LiquidTR_Model> m_viscTempDepType_Ns;
and the second holding the model coefficients
    std::vector<Coeff_T_>  m_coeffVisc_Ns; 

This greatly simplifies the assignment of coefficients from
LiquidTransportParams in initLiquid()

This also greatly simplifies the methods 
  void LiquidTransport::updateCond_T() 
  void LiquidTransport::updateViscosity_T() 
  void LiquidTransport::updateHydrodynamicRadius_T() 

Since the pointed-to-LTPspecies classes (subclasses actually) are
created with new in TransportFactory::newLTP, these are deleted in
~LiquidTransport()

Similar changes made to SimpleTransport.h SimpleTransport.cpp
This commit is contained in:
John Hewson 2009-11-20 04:05:26 +00:00
parent c14ec7268a
commit 5806bc13e7
4 changed files with 103 additions and 290 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

248
Cantera/src/transport/LiquidTransport.cpp
View file

@ -48,6 +48,7 @@ namespace Cantera {
m_visc_mix_ok(false),
m_visc_temp_ok(false),
m_visc_conc_ok(false),
m_radi_mix_ok(false),
m_radi_temp_ok(false),
m_radi_conc_ok(false),
m_diff_mix_ok(false),
@ -75,6 +76,7 @@ namespace Cantera {
m_visc_mix_ok(false),
m_visc_temp_ok(false),
m_visc_conc_ok(false),
m_radi_mix_ok(false),
m_radi_temp_ok(false),
m_radi_conc_ok(false),
m_diff_mix_ok(false),
@ -93,7 +95,7 @@ namespace Cantera {
}
LiquidTransport& LiquidTransport::operator=(const LiquidTransport& right) {
if (&right != this) {
if (&right == this) {
return *this;
}
Transport::operator=(right);
@ -101,14 +103,10 @@ namespace Cantera {
m_tmin = right.m_tmin;
m_tmax = right.m_tmax;
m_mw = right.m_mw;
m_viscTempDepType_Ns = right.m_viscTempDepType_Ns;
m_lambdaTempDepType_Ns = right.m_lambdaTempDepType_Ns;
m_diffTempDepType_Ns = right.m_diffTempDepType_Ns;
m_radiusTempDepType_Ns = right.m_radiusTempDepType_Ns;
m_coeffVisc_Ns = right.m_coeffVisc_Ns;
m_coeffLambda_Ns = right.m_coeffLambda_Ns;
m_coeffDiff_Ns = right.m_coeffDiff_Ns;
m_coeffRadius_Ns = right.m_coeffRadius_Ns;
m_viscTempDep_Ns = right.m_viscTempDep_Ns;
m_lambdaTempDep_Ns = right.m_lambdaTempDep_Ns;
m_diffTempDep_Ns = right.m_diffTempDep_Ns;
m_radiusTempDep_Ns = right.m_radiusTempDep_Ns;
m_visc_Eij = right.m_visc_Eij;
m_visc_Sij = right.m_visc_Sij;
m_hydrodynamic_radius = right.m_hydrodynamic_radius;
@ -146,6 +144,7 @@ namespace Cantera {
m_visc_mix_ok = false;
m_visc_temp_ok = false;
m_visc_conc_ok = false;
m_radi_mix_ok = false;
m_radi_temp_ok = false;
m_radi_conc_ok = false;
m_diff_mix_ok = false;
@ -165,6 +164,17 @@ namespace Cantera {
return (dynamic_cast<Transport *>(tr));
}
LiquidTransport::~LiquidTransport() {
//These are constructed in TransportFactory::newLTP
for ( int k = 0; k < m_nsp; k++) {
delete m_viscTempDep_Ns[k];
delete m_lambdaTempDep_Ns[k];
delete m_radiusTempDep_Ns[k];
delete m_diffTempDep_Ns[k];
}
}
// Initialize the object
/*
* This is where we dimension everything.
@ -187,117 +197,36 @@ namespace Cantera {
* Get the input Viscosities
*/
m_viscSpecies.resize(m_nsp);
m_coeffVisc_Ns.clear();
m_coeffVisc_Ns.resize(m_nsp);
m_viscTempDepType_Ns.resize(m_nsp);
m_viscTempDep_Ns.resize(m_nsp);
//for each species, assign viscosity model and coefficients
for (k = 0; k < m_nsp; k++) {
Cantera::LiquidTransportData &ltd = tr.LTData[k];
//specify temperature dependence
m_viscTempDepType_Ns[k] = ltd.model_viscosity;
//vector kentry corresponds to the k-th entry of m_coeffVisc_Ns
vector_fp &kentry = m_coeffVisc_Ns[k];
if ( m_viscTempDepType_Ns[k] == LTR_MODEL_CONSTANT
|| m_viscTempDepType_Ns[k] == LTR_MODEL_POLY ) {
kentry = ltd.viscCoeffs;
} else if ( m_viscTempDepType_Ns[k] == LTR_MODEL_ARRHENIUS ) {
kentry = ltd.viscCoeffs;
//for Arrhenius form, also carry the logarithm of the pre-exponential
kentry.push_back( log( kentry[0] ) ); //should be entry [3]
} else if ( m_viscTempDepType_Ns[k] == LTR_MODEL_NOTSET ) {
//we might be OK with viscosity not being set so
// this error is repeated in updateViscosity_T()
// and can be deleted from here if appropriate
throw CanteraError("LiquidTransport::initLiquid",
"Viscosity Model is not set for species "
+ m_thermo->speciesName(k)
+ " in the input file");
} else {
throw CanteraError("LiquidTransport::initLiquid",
"Viscosity Model for species "
+ m_thermo->speciesName(k)
+ " is not handled by this object");
}
m_viscTempDep_Ns[k] = ltd.viscosity;
}
/*
* Get the input Thermal Conductivities
*/
m_lambdaSpecies.resize(m_nsp);
m_coeffLambda_Ns.clear();
m_coeffLambda_Ns.resize(m_nsp);
m_lambdaTempDepType_Ns.resize(m_nsp);
m_lambdaTempDep_Ns.resize(m_nsp);
//for each species, assign viscosity model and coefficients
for (k = 0; k < m_nsp; k++) {
Cantera::LiquidTransportData &ltd = tr.LTData[k];
//specify temperature dependence
m_lambdaTempDepType_Ns[k] = ltd.model_thermalCond;
//vector kentry corresponds to the k-th entry of m_coeffLambda_Ns
vector_fp &kentry = m_coeffLambda_Ns[k];
if ( m_lambdaTempDepType_Ns[k] == LTR_MODEL_CONSTANT
|| m_lambdaTempDepType_Ns[k] == LTR_MODEL_POLY ) {
kentry = ltd.thermalCondCoeffs;
} else if ( m_lambdaTempDepType_Ns[k] == LTR_MODEL_ARRHENIUS ) {
kentry = ltd.thermalCondCoeffs;
//for Arrhenius form, also carry the logarithm of the pre-exponential
kentry.push_back( log( kentry[0] ) );//should be entry [3]
} else if ( m_lambdaTempDepType_Ns[k] == LTR_MODEL_NOTSET ) {
throw CanteraError("LiquidTransport::initLiquid",
"Thermal conductivity model is not set for species "
+ m_thermo->speciesName(k)
+ " in the input file");
} else {
throw CanteraError("LiquidTransport::initLiquid",
"Thermal conductivity model for species "
+ m_thermo->speciesName(k)
+ " is not handled by this object");
}
m_lambdaTempDep_Ns[k] = ltd.thermalCond;
}
/*
* Get the input Hydrodynamic Radii
*/
m_hydrodynamic_radius.resize(m_nsp);
m_coeffRadius_Ns.clear();
m_coeffRadius_Ns.resize(m_nsp);
m_radiusTempDepType_Ns.resize(m_nsp);
m_radiusTempDep_Ns.resize(m_nsp);
//for each species, assign viscosity model and coefficients
for (k = 0; k < m_nsp; k++) {
Cantera::LiquidTransportData &ltd = tr.LTData[k];
//specify temperature dependence
m_radiusTempDepType_Ns[k] = ltd.model_hydroradius;
//vector kentry corresponds to the k-th entry of m_coeffRadius_Ns
vector_fp &kentry = m_coeffRadius_Ns[k];
if ( m_radiusTempDepType_Ns[k] == LTR_MODEL_CONSTANT
|| m_radiusTempDepType_Ns[k] == LTR_MODEL_POLY ) {
kentry = ltd.hydroRadiusCoeffs;
} else if ( m_radiusTempDepType_Ns[k] == LTR_MODEL_ARRHENIUS ) {
kentry = ltd.hydroRadiusCoeffs;
//for Arrhenius form, also carry the logarithm of the pre-exponential
kentry.push_back( log( kentry[0] ) );//should be entry [3]
} else if ( m_radiusTempDepType_Ns[k] == LTR_MODEL_NOTSET ) {
throw CanteraError("LiquidTransport::initLiquid",
"Hydrodynamic radius model is not set for species "
+ m_thermo->speciesName(k)
+ " in the input file");
} else {
throw CanteraError("LiquidTransport::initLiquid",
"Hydrodynamic radius model for species "
+ m_thermo->speciesName(k)
+ " is not handled by this object");
}
m_radiusTempDep_Ns[k] = ltd.hydroradius;
}
/*
@ -308,24 +237,20 @@ namespace Cantera {
* be extraneous.
*/
// m_viscSpecies.resize(m_nsp);
m_coeffDiff_Ns.clear();
m_coeffDiff_Ns.resize(m_nsp);
m_diffTempDepType_Ns.resize(m_nsp);
m_diffTempDep_Ns.resize(m_nsp);
//for each species, assign viscosity model and coefficients
for (k = 0; k < m_nsp; k++) {
Cantera::LiquidTransportData &ltd = tr.LTData[k];
//specify temperature dependence
if ( ltd.model_speciesDiffusivity >= 0
|| ltd.speciesDiffusivityCoeffs.size() > 0 ) {
if ( ltd.speciesDiffusivity >= 0 ) {
cout << "Warning: diffusion coefficient data for "
<< m_thermo->speciesName(k)
<< endl
<< "in the input file is not used for LiquidTransport model."
<< endl
<< "LiquidTransport model uses hydrodynamicRadius, viscosity "
<< "LiquidTransport model uses Stefan-Maxwell interaction "
<< endl
<< "and the Stokes-Einstein equation or Interaction Model."
<< "parameters defined in the <transport> input block."
<< endl;
}
}
@ -957,7 +882,7 @@ namespace Cantera {
for (k = 0; k < m_nsp; k++) {
m_Grad_lnAC[k] = grad_lnAC[k];
std::cout << k << " m_Grad_lnAC = " << m_Grad_lnAC[k] << std::endl;
// std::cout << k << " m_Grad_lnAC = " << m_Grad_lnAC[k] << std::endl;
}
return;
@ -978,36 +903,7 @@ namespace Cantera {
int k;
for (k = 0; k < m_nsp; k++) {
vector_fp &coeffk = m_coeffLambda_Ns[k];
if ( m_lambdaTempDepType_Ns[k] == LTR_MODEL_CONSTANT ) {
m_lambdaSpecies[k] = coeffk[0] ;
} else if ( m_lambdaTempDepType_Ns[k] == LTR_MODEL_ARRHENIUS ) {
//m_coeffLambda_Ns[k][0] holds A
//m_coeffLambda_Ns[k][1] holds n
//m_coeffLambda_Ns[k][2] holds Tact
//m_coeffLambda_Ns[k][3] holds log(A)
m_lambdaSpecies[k] = coeffk[0] * exp( coeffk[1] * m_logt
- coeffk[2] / m_temp );
} else if ( m_lambdaTempDepType_Ns[k] == LTR_MODEL_POLY ) {
double tempN = 1.0;
for ( int i = 0; i < coeffk.size() ; i++ ) {
m_lambdaSpecies[k] += coeffk[i] * tempN;
tempN *= m_temp;
}
} else if ( m_lambdaTempDepType_Ns[k] == LTR_MODEL_NOTSET ) {
throw CanteraError("LiquidTransport::updateCond_T",
"Conductivity Model is not set for species "
+ m_thermo->speciesName(k)
+ " in the input file");
} else {
throw CanteraError("LiquidTransport::updateCond_T",
"Conductivity Model for species "
+ m_thermo->speciesName(k)
+ " is not handled by this object");
}
m_lambdaSpecies[k] = m_lambdaTempDep_Ns[k]->getSpeciesTransProp() ;
}
m_cond_temp_ok = true;
m_cond_mix_ok = false;
@ -1031,10 +927,12 @@ namespace Cantera {
for (j = 0; j < m_nsp; j++) {
m_DiffCoeff_StefMax(i,j) = m_bdiff(i,j) = GasConstant * m_temp
/ ( 6.0 * Pi * radiusSpec[i] * viscSpec[j] ) ;
cout << " D_ij = " << m_bdiff(i,j) << " for "
cout << "unused D_ij = " << m_bdiff(i,j) << " for "
<< m_thermo->speciesName(i) << ", "
<< m_thermo->speciesName(j) << endl;
}
delete radiusSpec;
delete viscSpec;
m_diff_temp_ok = true;
m_diff_mix_ok = false;
}
@ -1064,48 +962,17 @@ namespace Cantera {
int k;
for (k = 0; k < m_nsp; k++) {
vector_fp &coeffk = m_coeffVisc_Ns[k];
if ( m_viscTempDepType_Ns[k] == LTR_MODEL_CONSTANT ) {
m_logViscSpecies[k] = log( coeffk[0] );
m_viscSpecies[k] = coeffk[0] ;
} else if ( m_viscTempDepType_Ns[k] == LTR_MODEL_ARRHENIUS ) {
//m_coeffVisc_Ns[k][0] holds A
//m_coeffVisc_Ns[k][1] holds n
//m_coeffVisc_Ns[k][2] holds Tact
//m_coeffVisc_Ns[k][3] holds log(A)
m_logViscSpecies[k] = coeffk[3] + coeffk[1] * m_logt
+ coeffk[2] / m_temp ;
m_viscSpecies[k] = exp( m_logViscSpecies[k] );
} else if ( m_viscTempDepType_Ns[k] == LTR_MODEL_POLY ) {
double tempN = 1.0;
for ( int i = 0; i < coeffk.size() ; i++ ) {
m_viscSpecies[k] += coeffk[i] * tempN;
tempN *= m_temp;
}
} else if ( m_viscTempDepType_Ns[k] == LTR_MODEL_NOTSET ) {
throw CanteraError("LiquidTransport::updateViscosity_T",
"Viscosity Model is not set for species "
+ m_thermo->speciesName(k)
+ " in the input file");
} else {
throw CanteraError("LiquidTransport::updateViscosity_T",
"Viscosity Model for species "
+ m_thermo->speciesName(k)
+ " is not handled by this object");
}
m_visc_temp_ok = true;
m_visc_mix_ok = false;
m_viscSpecies[k] = m_viscTempDep_Ns[k]->getSpeciesTransProp() ;
m_logViscSpecies[k] = log( m_viscSpecies[k] );
}
m_visc_temp_ok = true;
m_visc_mix_ok = false;
}
//! Update the pure-species viscosities functional dependence on concentration.
void LiquidTransport::updateHydrodynamicRadius_C() {
m_visc_conc_ok = true;
m_radi_conc_ok = true;
}
@ -1119,39 +986,10 @@ namespace Cantera {
int k;
for (k = 0; k < m_nsp; k++) {
vector_fp &coeffk = m_coeffRadius_Ns[k];
if ( m_radiusTempDepType_Ns[k] == LTR_MODEL_CONSTANT ) {
m_hydrodynamic_radius[k] = coeffk[0] ;
} else if ( m_radiusTempDepType_Ns[k] == LTR_MODEL_ARRHENIUS ) {
//m_coeffRadius_Ns[k][0] holds A
//m_coeffRadius_Ns[k][1] holds n
//m_coeffRadius_Ns[k][2] holds Tact
//m_coeffRadius_Ns[k][3] holds log(A)
m_hydrodynamic_radius[k] = coeffk[0] * exp( coeffk[1] * m_logt
- coeffk[2] / m_temp );
} else if ( m_radiusTempDepType_Ns[k] == LTR_MODEL_POLY ) {
double tempN = 1.0;
for ( int i = 0; i < coeffk.size() ; i++ ) {
m_hydrodynamic_radius[k] += coeffk[i] * tempN;
tempN *= m_temp;
}
} else if ( m_radiusTempDepType_Ns[k] == LTR_MODEL_NOTSET ) {
throw CanteraError("LiquidTransport::updateHydrodynamicRadius_T",
"Hydrodynamic Radius Model is not set for species "
+ m_thermo->speciesName(k)
+ " in the input file");
} else {
throw CanteraError("LiquidTransport::updateHydrodynamicRadius_T",
"Hydrodynamic Radius Model for species "
+ m_thermo->speciesName(k)
+ " is not handled by this object");
}
m_radi_temp_ok = true;
m_diff_mix_ok = false;
}
m_hydrodynamic_radius[k] = m_radiusTempDep_Ns[k]->getSpeciesTransProp() ;
}
m_radi_temp_ok = true;
m_radi_mix_ok = false;
}

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

@ -30,16 +30,6 @@ using namespace std;
namespace Cantera {
const int LVISC_CONSTANT = 0;
const int LVISC_INTERACTION = 1;
const int LVISC_AVG_ENERGIES = 2;
const int LDIFF_CONSTANT = 0;
const int LDIFF_ARHENNIUS = 1;
const int LDIFF_STOKES_EINSTEIN = 2;
class LiquidTransportParams;
@ -180,7 +170,7 @@ namespace Cantera {
//! virtual destructor
virtual ~LiquidTransport() {}
virtual ~LiquidTransport();
//! Initialize the transport object
/*!
@ -540,10 +530,7 @@ namespace Cantera {
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
*/
vector<LiquidTR_Model> m_viscTempDepType_Ns;
//! Pure species viscosities in temperature-dependent form.
std::vector<Coeff_T_> m_coeffVisc_Ns;
std::vector<LTPspecies*> m_viscTempDep_Ns;
//! Viscosity mixing model type
/*!
@ -575,10 +562,7 @@ namespace Cantera {
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
*/
vector<LiquidTR_Model> m_lambdaTempDepType_Ns;
//! Pure species thermal conductivities in temperature-dependent form.
std::vector<Coeff_T_> m_coeffLambda_Ns;
std::vector<LTPspecies*> m_lambdaTempDep_Ns;
//! Thermal conductivity mixing model type
/*!
@ -602,11 +586,7 @@ namespace Cantera {
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
*/
vector<LiquidTR_Model> m_diffTempDepType_Ns;
//! Pure species diffusvities in temperature-dependent form.
//! Not currently used since we get diffusivity from hydrodynamic radius.
std::vector<Coeff_T_> m_coeffDiff_Ns;
std::vector<LTPspecies*> m_diffTempDep_Ns;
//! Species diffusivity mixing model type
/*!
@ -619,7 +599,7 @@ namespace Cantera {
DenseMatrix m_diff_Dij;
vector<bool> useHydroRadius_;
std::vector<bool> useHydroRadius_;
//!Hydrodynamic radius temperature dependence type
/*!
@ -628,10 +608,7 @@ namespace Cantera {
* 1 - extended arrhenius form
* 2 - polynomial in temperature form
*/
vector<LiquidTR_Model> m_radiusTempDepType_Ns;
//! Pure hydrodynamic radius in temperature-dependent form.
std::vector<Coeff_T_> m_coeffRadius_Ns;
std::vector<LTPspecies*> m_radiusTempDep_Ns;
//! Species hydrodynamic radius
vector_fp m_hydrodynamic_radius;
@ -654,7 +631,7 @@ namespace Cantera {
* added.
*/
/*
vector<vector_fp> m_diffcoeffs;
std::vector<vector_fp> m_diffcoeffs;
*/
@ -922,6 +899,9 @@ namespace Cantera {
//! are current wrt the concentration
bool m_visc_conc_ok;
//! Boolean indicating that mixture diffusion coeffs are current
bool m_radi_mix_ok;
//! Boolean indicating that temperature dependence of
//! hydrodynamic radius is current
bool m_radi_temp_ok;

97
Cantera/src/transport/SimpleTransport.cpp
View file

@ -83,7 +83,7 @@ namespace Cantera {
}
//================================================================================================
SimpleTransport& SimpleTransport::operator=(const SimpleTransport& right) {
if (&right != this) {
if (&right == this) {
return *this;
}
Transport::operator=(right);
@ -196,10 +196,11 @@ namespace Cantera {
m_coeffVisc_Ns.clear();
m_coeffVisc_Ns.resize(m_nsp);
Cantera::LiquidTransportData &ltd0 = tr.LTData[0];
//Cantera::LiquidTransportData &ltd0 = tr.LTData[0];
std::string spName = m_thermo->speciesName(0);
/*
LiquidTR_Model vm0 = ltd0.model_viscosity;
std::string spName0 = m_thermo->speciesName(0);
std::string spName = m_thermo->speciesName(0);
if (vm0 == LTR_MODEL_CONSTANT) {
tempDepType_ = 0;
} else if (vm0 == LTR_MODEL_ARRHENIUS) {
@ -211,12 +212,14 @@ namespace Cantera {
throw CanteraError("SimpleTransport::initLiquid",
"Viscosity Model for species " + spName0 + " is not handled by this object");
}
*/
for (k = 0; k < m_nsp; k++) {
spName = m_thermo->speciesName(k);
Cantera::LiquidTransportData &ltd = tr.LTData[k];
LiquidTR_Model vm = ltd.model_viscosity;
vector_fp &kentry = m_coeffVisc_Ns[k];
//LiquidTR_Model vm = ltd.model_viscosity;
//vector_fp &kentry = m_coeffVisc_Ns[k];
/*
if (vm != vm0) {
if (compositionDepType_ != 0) {
throw CanteraError(" SimpleTransport::initLiquid",
@ -225,7 +228,8 @@ namespace Cantera {
kentry = m_coeffVisc_Ns[0];
}
}
kentry = ltd.viscCoeffs;
*/
m_coeffVisc_Ns[k] = ltd.viscosity;
}
/*
@ -234,17 +238,18 @@ namespace Cantera {
m_condSpecies.resize(m_nsp);
m_coeffLambda_Ns.clear();
m_coeffLambda_Ns.resize(m_nsp);
LiquidTR_Model cm0 = ltd0.model_thermalCond;
if (cm0 != vm0) {
throw CanteraError("SimpleTransport::initLiquid",
"Conductivity model is not the same as the viscosity model for species " + spName0);
}
//LiquidTR_Model cm0 = ltd0.model_thermalCond;
//if (cm0 != vm0) {
// throw CanteraError("SimpleTransport::initLiquid",
// "Conductivity model is not the same as the viscosity model for species " + spName0);
// }
for (k = 0; k < m_nsp; k++) {
spName = m_thermo->speciesName(k);
Cantera::LiquidTransportData &ltd = tr.LTData[k];
LiquidTR_Model cm = ltd.model_thermalCond;
vector_fp &kentry = m_coeffLambda_Ns[k];
//LiquidTR_Model cm = ltd.model_thermalCond;
//vector_fp &kentry = m_coeffLambda_Ns[k];
/*
if (cm != cm0) {
if (compositionDepType_ != 0) {
throw CanteraError(" SimpleTransport::initLiquid",
@ -253,7 +258,8 @@ namespace Cantera {
kentry = m_coeffLambda_Ns[0];
}
}
kentry = ltd.thermalCondCoeffs;
*/
m_coeffLambda_Ns[k] = ltd.thermalCond;
}
/*
@ -264,7 +270,8 @@ namespace Cantera {
m_diffSpecies.resize(m_nsp);
m_coeffDiff_Ns.clear();
m_coeffDiff_Ns.resize(m_nsp);
LiquidTR_Model dm0 = ltd0.model_speciesDiffusivity;
//LiquidTR_Model dm0 = ltd0.model_speciesDiffusivity;
/*
if (dm0 != vm0) {
if (dm0 == LTR_MODEL_NOTSET) {
LiquidTR_Model rm0 = ltd0.model_hydroradius;
@ -276,10 +283,12 @@ namespace Cantera {
}
}
}
*/
for (k = 0; k < m_nsp; k++) {
spName = m_thermo->speciesName(k);
Cantera::LiquidTransportData &ltd = tr.LTData[k];
/*
LiquidTR_Model dm = ltd.model_speciesDiffusivity;
if (dm == LTR_MODEL_NOTSET) {
LiquidTR_Model rm = ltd.model_hydroradius;
@ -296,17 +305,28 @@ namespace Cantera {
"hydroradius model is not constant for species " + spName0);
}
vector_fp &kentry = m_coeffHydroRadius_Ns[k];
kentry = ltd.hydroRadiusCoeffs;
kentry = ltd.hydroradius;
} else {
if (dm != dm0) {
throw CanteraError(" SimpleTransport::initLiquid",
"different diffusivity models for species " + spName + " and " + spName0 );
}
vector_fp &kentry = m_coeffDiff_Ns[k];
kentry = ltd.speciesDiffusivityCoeffs;
kentry = ltd.speciesDiffusivity;
}
*/
m_coeffDiff_Ns[k] = ltd.speciesDiffusivity;
if ( !(m_coeffDiff_Ns[k]) ) {
m_coeffHydroRadius_Ns[k] = ltd.hydroradius;
if ( !(m_coeffHydroRadius_Ns[k]) ) {
throw CanteraError("SimpleTransport::initLiquid",
"Neither diffusivity nor hydroradius is set for species " + spName);
}
}
}
@ -690,16 +710,9 @@ namespace Cantera {
*/
void SimpleTransport::updateCond_T() {
int k;
if (tempDepType_ == 0) {
for (k = 0; k < m_nsp; k++) {
Coeff_T_ &coeff = m_coeffLambda_Ns[k];
m_condSpecies[k] = coeff[0];
}
} else if (tempDepType_ == 1) {
for (k = 0; k < m_nsp; k++) {
Coeff_T_ &coeff = m_coeffLambda_Ns[k];
m_condSpecies[k] = coeff[0] * pow(m_temp,coeff[1]) * exp(-coeff[2]/m_temp);
}
for (k = 0; k < m_nsp; k++) {
m_condSpecies[k] = m_coeffLambda_Ns[k]->getSpeciesTransProp() ;
}
m_cond_temp_ok = true;
m_cond_mix_ok = false;
@ -714,24 +727,14 @@ namespace Cantera {
double visc = viscosity();
double RT = GasConstant * m_temp;
for (k = 0; k < m_nsp; k++) {
Coeff_T_ &coeff = m_coeffHydroRadius_Ns[k];
double rad = coeff[0];
double rad = m_coeffHydroRadius_Ns[k]->getSpeciesTransProp() ;
m_diffSpecies[k] = RT / (6.0 * Pi * visc * rad);
}
} else {
if (tempDepType_ == 0) {
for (k = 0; k < m_nsp; k++) {
Coeff_T_ &coeff = m_coeffDiff_Ns[k];
m_diffSpecies[k] = coeff[0];
}
} else if (tempDepType_ == 1) {
for (k = 0; k < m_nsp; k++) {
Coeff_T_ &coeff = m_coeffDiff_Ns[k];
m_diffSpecies[k] = coeff[0] * pow(m_temp,coeff[1]) * exp(-coeff[2]/m_temp);
}
for (k = 0; k < m_nsp; k++) {
m_diffSpecies[k] = m_coeffDiff_Ns[k]->getSpeciesTransProp();
}
}
m_diff_temp_ok = true;
m_diff_mix_ok = false;
}
@ -751,16 +754,8 @@ namespace Cantera {
*/
void SimpleTransport::updateViscosity_T() {
int k;
if (tempDepType_ == 0) {
for (k = 0; k < m_nsp; k++) {
Coeff_T_ &coeff = m_coeffVisc_Ns[k];
m_viscSpecies[k] = coeff[0];
}
} else if (tempDepType_ == 1) {
for (k = 0; k < m_nsp; k++) {
Coeff_T_ &coeff = m_coeffVisc_Ns[k];
m_viscSpecies[k] = coeff[0] * pow(m_temp,coeff[1]) * exp(-coeff[2]/m_temp);
}
for (k = 0; k < m_nsp; k++) {
m_viscSpecies[k] = m_coeffVisc_Ns[k]->getSpeciesTransProp();
}
m_visc_temp_ok = true;
m_visc_mix_ok = false;

8
Cantera/src/transport/SimpleTransport.h
View file

@ -490,20 +490,20 @@ namespace Cantera {
vector_fp m_mw;
//! Pure species viscosities in Arrhenius temperature-dependent form.
std::vector<Coeff_T_> m_coeffVisc_Ns;
std::vector<LTPspecies*> m_coeffVisc_Ns;
//! Pure species thermal conductivities in Arrhenius temperature-dependent form.
/*!
*
*/
std::vector<Coeff_T_> m_coeffLambda_Ns;
std::vector<LTPspecies*> m_coeffLambda_Ns;
//! Pure species viscosities in Arrhenius temperature-dependent form.
std::vector<Coeff_T_> m_coeffDiff_Ns;
std::vector<LTPspecies*> m_coeffDiff_Ns;
std::vector<Coeff_T_> m_coeffHydroRadius_Ns;
std::vector<LTPspecies*> m_coeffHydroRadius_Ns;
//! Internal value of the gradient of the mole fraction vector