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

[Transport] Allow construction of LTPSpecies without XML

Browse source
This commit is contained in:
Ray Speth 2017-08-15 14:27:35 -04:00
parent ea69a014a5
commit 4b5af64050
4 changed files with 117 additions and 130 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

135
include/cantera/transport/LTPspecies.h
View file

@ -76,25 +76,7 @@ enum LTPTemperatureDependenceType {
class LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property.
/*!
* The species transport property is constructed from the XML node,
* `<propNode>` that is a child of the `<transport>` node in the species
* block and specifies a type of transport property (like viscosity)
*
* @param propNode Pointer to the XML node that contains the property
* information. A default value of 0 is allowed for the base class, but
* not for classes which are assumed to be parameterized by reading
* XML_Node information.
* @param name String containing the species name
* @param tp_ind enum TransportPropertyType containing the property id
* that this object is creating a parameterization for (e.g., viscosity)
* @param thermo const pointer to the ThermoPhase object, which is
* used to find the temperature.
*/
LTPspecies(const XML_Node* const propNode = 0, const std::string name = "-",
TransportPropertyType tp_ind = TP_UNKNOWN, const thermo_t* thermo = 0);
LTPspecies();
virtual ~LTPspecies() {}
//! Duplication routine
@ -105,6 +87,27 @@ public:
*/
virtual LTPspecies* duplMyselfAsLTPspecies() const;
//! Set the ThermoPhase object, which is used to find the temperature
void setThermo(thermo_t* thermo) {
m_thermo = thermo;
}
//! Set the species name
void setName(const std::string& name) {
m_speciesName = name;
}
//! TransportPropertyType containing the property id that this object is
//! creating a parameterization for (e.g., viscosity)
void setTransportPropertyType(TransportPropertyType tp_ind) {
m_property = tp_ind;
}
//! Set up the species transport property from the XML node, `<propNode>`
//! that is a child of the `<transport>` node in the species block and
//! specifies a type of transport property (like viscosity)
virtual void setupFromXML(const XML_Node& propNode) {}
//! Returns the vector of standard state species transport property
/*!
* The standard state species transport property is returned. Any
@ -122,6 +125,8 @@ public:
//! Return the weight mixture
doublereal getMixWeight() const;
private:
//! Internal model to adjust species-specific properties for the composition.
/*!
@ -183,25 +188,13 @@ protected:
class LTPspecies_Const : public LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property expressed
//! as a constant value.
/*!
* The transport property is constructed from the XML node, `<propNode>`,
* that is a child of the `<transport>` node and specifies a type of
* transport property (e.g., viscosity).
*
* @param propNode Reference to the XML node that contains the property
* information.
* @param name String containing the species name
* @param tp_ind enum TransportPropertyType containing the property id
* that this object is creating a parameterization for (e.g., viscosity)
* @param thermo const pointer to the ThermoPhase object, which is used
* to find the temperature.
*/
LTPspecies_Const(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* const thermo);
LTPspecies_Const();
virtual LTPspecies* duplMyselfAsLTPspecies() const;
virtual void setupFromXML(const XML_Node& propNode);
// Set the (constant) property value
void setCoeff(double C);
doublereal getSpeciesTransProp();
};
@ -237,26 +230,9 @@ public:
class LTPspecies_Arrhenius : public LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property
//! expressed in extended Arrhenius form.
/*!
* The transport property is constructed from the XML node, `<propNode>`,
* that is a child of the `<transport>` node and specifies a type of
* transport property (like viscosity)
*
* @param propNode Reference to the XML node that contains the property
* information.This class is assumed to be parameterized by reading
* XML_Node information.
* @param name String containing the species name
* @param tp_ind enum TransportPropertyType containing the property id
* that this object is creating a parameterization for (e.g., viscosity)
* @param thermo const pointer to the ThermoPhase object, which is used
* to find the temperature.
*/
LTPspecies_Arrhenius(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* thermo);
LTPspecies_Arrhenius();
virtual LTPspecies* duplMyselfAsLTPspecies() const;
virtual void setupFromXML(const XML_Node& propNode);
//! Return the standard state species value for this transport property
//! evaluated from the Arrhenius expression
@ -280,6 +256,9 @@ public:
*/
doublereal getSpeciesTransProp();
// Set the coefficients in the Arrhenius expression
void setCoeffs(double A, double n, double Tact);
protected:
//! temperature from thermo object
doublereal m_temp;
@ -322,28 +301,15 @@ protected:
class LTPspecies_Poly : public LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property expressed
//! as a polynomial in temperature.
/*!
* The transport property is constructed from the XML node, `<propNode>`,
* that is a child of the `<transport>` node and specifies a type of
* transport property (like viscosity).
*
* @param propNode Reference to the XML node that contains the property
* information. This class must be parameterized by reading XML_Node
* information.
* @param name String containing the species name
* @param tp_ind enum TransportPropertyType containing the property id
* that this object is creating a parameterization for (e.g., viscosity)
* @param thermo const pointer to the ThermoPhase object, which is used
* to find the temperature.
*/
LTPspecies_Poly(const XML_Node& propNode, const std::string name, TransportPropertyType tp_ind, const thermo_t* thermo);
LTPspecies_Poly();
virtual LTPspecies* duplMyselfAsLTPspecies() const;
virtual void setupFromXML(const XML_Node& propNode);
doublereal getSpeciesTransProp();
// Set the coefficients in the polynomial expression
void setCoeffs(size_t N, const double* coeffs);
protected:
//! temperature from thermo object
doublereal m_temp;
@ -382,26 +348,13 @@ protected:
class LTPspecies_ExpT : public LTPspecies
{
public:
//! Construct an LTPspecies object for a liquid transport property
//! expressed as an exponential in temperature.
/*!
* The transport property is constructed from the XML node, `<propNode>`,
* that is a child of the `<transport>` node and specifies a type of
* transport property (like viscosity).
*
* @param propNode Reference to the XML node that contains the property
* information. This class must be parameterized by reading XML_Node
* information.
* @param name String containing the species name
* @param tp_ind enum TransportPropertyType containing the property id
* that this object is creating a parameterization for (e.g., viscosity)
* @param thermo const pointer to the ThermoPhase object, which is used
* to find the temperature.
*/
LTPspecies_ExpT(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* thermo);
LTPspecies_ExpT();
virtual LTPspecies* duplMyselfAsLTPspecies() const;
virtual void setupFromXML(const XML_Node& propNode);
// Set the coefficients in the polynomial expression
void setCoeffs(size_t N, const double* coeffs);
doublereal getSpeciesTransProp();

3
include/cantera/transport/LiquidTransportData.h
View file

@ -11,6 +11,7 @@
#include "TransportBase.h"
#include "LTPspecies.h"
#include "TransportData.h"
namespace Cantera
{
@ -30,7 +31,7 @@ namespace Cantera
* is a passthrough class, which keeps track of pointer ownership by zeroing
* pointers as we go. Yes, Yes, yes, this is not good.
*/
class LiquidTransportData
class LiquidTransportData : public TransportData
{
public:
LiquidTransportData();

91
src/transport/LTPspecies.cpp
View file

@ -49,17 +49,13 @@ static void getArrhenius(const XML_Node& node,
E = getFloat(node, "E", "actEnergy") / GasConstant;
}
LTPspecies::LTPspecies(const XML_Node* const propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* thermo) :
m_speciesName(name),
LTPspecies::LTPspecies() :
m_speciesName("-"),
m_model(LTP_TD_NOTSET),
m_property(tp_ind),
m_thermo(thermo),
m_property(TP_UNKNOWN),
m_thermo(0),
m_mixWeight(1.0)
{
if (propNode && propNode->hasChild("mixtureWeighting")) {
m_mixWeight = getFloat(*propNode, "mixtureWeighting");
}
}
LTPspecies* LTPspecies::duplMyselfAsLTPspecies() const
@ -86,19 +82,26 @@ void LTPspecies::adjustCoeffsForComposition()
{
}
LTPspecies_Const::LTPspecies_Const(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* const thermo) :
LTPspecies(&propNode, name, tp_ind, thermo)
LTPspecies_Const::LTPspecies_Const()
{
m_model = LTP_TD_CONSTANT;
}
void LTPspecies_Const::setupFromXML(const XML_Node& propNode)
{
double A_k = getFloatCurrent(propNode, "toSI");
if (A_k > 0.0) {
m_coeffs.push_back(A_k);
setCoeff(A_k);
} else {
throw LTPError("negative or zero " + propNode.name());
}
}
void LTPspecies_Const::setCoeff(double C)
{
m_coeffs = {C};
}
LTPspecies* LTPspecies_Const::duplMyselfAsLTPspecies() const
{
return new LTPspecies_Const(*this);
@ -109,23 +112,11 @@ doublereal LTPspecies_Const::getSpeciesTransProp()
return m_coeffs[0];
}
LTPspecies_Arrhenius::LTPspecies_Arrhenius(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* thermo) :
LTPspecies(&propNode, name, tp_ind, thermo)
LTPspecies_Arrhenius::LTPspecies_Arrhenius()
{
m_model = LTP_TD_ARRHENIUS;
m_temp = 0.0;
m_prop = 0.0;
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());
}
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));
}
LTPspecies* LTPspecies_Arrhenius::duplMyselfAsLTPspecies() const
@ -133,6 +124,21 @@ LTPspecies* LTPspecies_Arrhenius::duplMyselfAsLTPspecies() const
return new LTPspecies_Arrhenius(*this);
}
void LTPspecies_Arrhenius::setupFromXML(const XML_Node& propNode)
{
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());
}
setCoeffs(A_k, n_k, Tact_k);
}
void LTPspecies_Arrhenius::setCoeffs(double A, double n, double Tact)
{
m_coeffs = {A, n, Tact, log(A)};
}
doublereal LTPspecies_Arrhenius::getSpeciesTransProp()
{
doublereal t = m_thermo->temperature();
@ -156,14 +162,11 @@ doublereal LTPspecies_Arrhenius::getSpeciesTransProp()
return m_prop;
}
LTPspecies_Poly::LTPspecies_Poly(const XML_Node& propNode, const std::string name,
TransportPropertyType tp_ind, const thermo_t* thermo) :
LTPspecies(&propNode, name, tp_ind, thermo),
LTPspecies_Poly::LTPspecies_Poly() :
m_temp(-1.0),
m_prop(0.0)
{
m_model = LTP_TD_POLY;
getFloatArray(propNode, m_coeffs, "true", "toSI");
}
LTPspecies* LTPspecies_Poly::duplMyselfAsLTPspecies() const
@ -171,6 +174,18 @@ LTPspecies* LTPspecies_Poly::duplMyselfAsLTPspecies() const
return new LTPspecies_Poly(*this);
}
void LTPspecies_Poly::setupFromXML(const XML_Node& propNode)
{
vector_fp coeffs;
getFloatArray(propNode, coeffs, "true", "toSI");
setCoeffs(coeffs.size(), coeffs.data());
}
void LTPspecies_Poly::setCoeffs(size_t N, const double* coeffs)
{
m_coeffs.assign(coeffs, coeffs+N);
}
doublereal LTPspecies_Poly::getSpeciesTransProp()
{
doublereal t = m_thermo->temperature();
@ -186,15 +201,11 @@ doublereal LTPspecies_Poly::getSpeciesTransProp()
return m_prop;
}
LTPspecies_ExpT::LTPspecies_ExpT(const XML_Node& propNode, const std::string name, TransportPropertyType tp_ind,
const thermo_t* thermo) :
LTPspecies(&propNode, name, tp_ind, thermo),
LTPspecies_ExpT::LTPspecies_ExpT() :
m_temp(-1.0),
m_prop(0.0)
{
m_model = LTP_TD_EXPT;
getFloatArray(propNode, m_coeffs, "true", "toSI");
}
LTPspecies* LTPspecies_ExpT::duplMyselfAsLTPspecies() const
@ -202,6 +213,18 @@ LTPspecies* LTPspecies_ExpT::duplMyselfAsLTPspecies() const
return new LTPspecies_ExpT(*this);
}
void LTPspecies_ExpT::setupFromXML(const XML_Node& propNode)
{
vector_fp coeffs;
getFloatArray(propNode, coeffs, "true", "toSI");
setCoeffs(coeffs.size(), coeffs.data());
}
void LTPspecies_ExpT::setCoeffs(size_t N, const double* coeffs)
{
m_coeffs.assign(coeffs, coeffs+N);
}
doublereal LTPspecies_ExpT::getSpeciesTransProp()
{
doublereal t = m_thermo->temperature();

18
src/transport/TransportFactory.cpp
View file

@ -94,18 +94,28 @@ LTPspecies* TransportFactory::newLTP(const XML_Node& trNode, const std::string&
TransportPropertyType tp_ind, thermo_t* thermo)
{
std::string model = ba::to_lower_copy(trNode["model"]);
LTPspecies* sp;
switch (m_LTRmodelMap[model]) {
case LTP_TD_CONSTANT:
return new LTPspecies_Const(trNode, name, tp_ind, thermo);
sp = new LTPspecies_Const();
break;
case LTP_TD_ARRHENIUS:
return new LTPspecies_Arrhenius(trNode, name, tp_ind, thermo);
sp = new LTPspecies_Arrhenius();
break;
case LTP_TD_POLY:
return new LTPspecies_Poly(trNode, name, tp_ind, thermo);
sp = new LTPspecies_Poly();
break;
case LTP_TD_EXPT:
return new LTPspecies_ExpT(trNode, name, tp_ind, thermo);
sp = new LTPspecies_ExpT();
break;
default:
throw CanteraError("TransportFactory::newLTP","unknown transport model: " + model);
}
sp->setName(name);
sp->setThermo(thermo);
sp->setTransportPropertyType(tp_ind);
sp->setupFromXML(trNode);
return sp;
}
LiquidTranInteraction* TransportFactory::newLTI(const XML_Node& trNode,