The purpose of the TransportFactory class is to create new instances of 'transport managers', which are classes that provide transport properties and which are derived from the base class, Transport. More...

#include <TransportFactory.h>

Inheritance diagram for TransportFactory:

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Collaboration diagram for TransportFactory:

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Public Member Functions
virtual void	deleteFactory ()
	Deletes the statically malloced instance.

virtual	~TransportFactory ()

virtual LTPspecies *	newLTP (const XML_Node &trNode, std::string &name, TransportPropertyType tp_ind, thermo_t *thermo)
	Make one of several transport models, and return a base class pointer to it.

virtual LiquidTranInteraction *	newLTI (const XML_Node &trNode, TransportPropertyType tp_ind, LiquidTransportParams &trParam)
	Factory function for the construction of new LiquidTranInteraction objects, which are transport models.

virtual Transport *	newTransport (std::string model, thermo_t *thermo, int log_level=0)
	Build a new transport manager using a transport manager that may not be the same as in the phase description and return a base class pointer to it.

virtual Transport *	newTransport (thermo_t *thermo, int log_level=0)
	Build a new transport manager using the default transport manager in the phase description and return a base class pointer to it.

virtual void	initTransport (Transport tr, thermo_t thermo, int mode=0, int log_level=0)
	Initialize an existing transport manager.

virtual void	initLiquidTransport (Transport tr, thermo_t thermo, int log_level=0)
	Initialize an existing transport manager for liquid phase.

Static Public Member Functions
static TransportFactory *	factory ()
	Return a pointer to a TransportFactory instance.

static void	deleteFactories ()
	static function that deletes all factories in the internal registry maintained in a static variable

Private Member Functions
	TransportFactory ()
	The constructor is private; use static method factory() to get a pointer to a factory instance.

void	getTransportData (const std::vector< const XML_Node * > &xspecies, XML_Node &log, const std::vector< std::string > &names, GasTransportParams &tr)
	Read the transport database.

void	getLiquidSpeciesTransportData (const std::vector< const XML_Node * > &db, XML_Node &log, const std::vector< std::string > &names, LiquidTransportParams &tr)
	Read transport property data from a file for a list of species that comprise the phase.

void	getLiquidInteractionsTransportData (const XML_Node &phaseTran_db, XML_Node &log, const std::vector< std::string > &names, LiquidTransportParams &tr)
	Read transport property data from a file for interactions between species.

void	fitProperties (GasTransportParams &tr, MMCollisionInt &integrals, std::ostream &logfile)
	Generate polynomial fits to the viscosity, conductivity, and the binary diffusion coefficients.

void	fitCollisionIntegrals (std::ostream &logfile, GasTransportParams &tr, MMCollisionInt &integrals)
	Generate polynomial fits to collision integrals.

void	setupMM (std::ostream &flog, const std::vector< const XML_Node * > &transport_database, thermo_t *thermo, int mode, int log_level, GasTransportParams &tr)
	Prepare to build a new kinetic-theory-based transport manager for low-density gases.

void	setupLiquidTransport (std::ostream &flog, thermo_t *thermo, int log_level, LiquidTransportParams &trParam)
	Prepare to build a new transport manager for liquids assuming that viscosity transport data is provided in Arrhenius form.

void	getBinDiffCorrection (doublereal t, const GasTransportParams &tr, MMCollisionInt &integrals, size_t k, size_t j, doublereal xk, doublereal xj, doublereal &fkj, doublereal &fjk)
	Second-order correction to the binary diffusion coefficients.

void	makePolarCorrections (size_t i, size_t j, const GasTransportParams &tr, doublereal &f_eps, doublereal &f_sigma)
	Corrections for polar-nonpolar binary diffusion coefficients.

Private Attributes
bool	m_verbose
	Boolean indicating whether to turn on verbose printing.

std::map< std::string, int >	m_models
	Mapping between between the string name for a transport model and the integer name.

std::map< std::string, TransportPropertyType >	m_tranPropMap
	Mapping between between the string name for a transport property and the integer name.

std::map< std::string, LTPTemperatureDependenceType >	m_LTRmodelMap
	Mapping between between the string name for a species-specific transport property model and the integer name.

std::map< std::string, LiquidTranMixingModel >	m_LTImodelMap
	Mapping between between the string name for a liquid mixture transport property model and the integer name.

Static Private Attributes
static TransportFactory *	s_factory = 0
	Static instance of the factor -> This is the only instance of this object allowed.

static mutex_t	transport_mutex
	Static instance of the mutex used to ensure the proper reading of the transport database.

Detailed Description

The purpose of the TransportFactory class is to create new instances of 'transport managers', which are classes that provide transport properties and which are derived from the base class, Transport.

TransportFactory handles all initialization required, including evaluation of collision integrals and generating polynomial fits. Transport managers can also be created in other ways.

Definition at line 101 of file TransportFactory.h.

Constructor & Destructor Documentation

virtual ~TransportFactory ( )

inlinevirtual

Destructor

We do not delete statically created single instance of this class here, because it would create an infinite loop if destructor is called for that single instance.

Definition at line 137 of file TransportFactory.h.

TransportFactory ( )

private

The constructor is private; use static method factory() to get a pointer to a factory instance.

The default constructor for this class sets up m_models[], a mapping between the string name for a transport model and the integer name.

Definition at line 192 of file TransportFactory.cpp.

References TransportFactory::m_LTImodelMap, TransportFactory::m_LTRmodelMap, TransportFactory::m_models, and TransportFactory::m_tranPropMap.

Referenced by TransportFactory::factory().

Member Function Documentation

static TransportFactory* factory ( )

inlinestatic

Return a pointer to a TransportFactory instance.

TransportFactory is implemented as a 'singleton', which means that at most one instance may be created. The constructor is private. When a TransportFactory instance is required, call static method factory() to return a pointer to the TransportFactory instance.

TransportFactory* f;

f = TransportFactory::factory();

Definition at line 119 of file TransportFactory.h.

References TransportFactory::s_factory, TransportFactory::transport_mutex, and TransportFactory::TransportFactory().

Referenced by Cantera::newDefaultTransportMgr(), and Cantera::newTransportMgr().

void deleteFactory ( )

virtual

Deletes the statically malloced instance.

Implements FactoryBase.

Definition at line 236 of file TransportFactory.cpp.

References TransportFactory::s_factory, and TransportFactory::transport_mutex.

LTPspecies * newLTP	(	const XML_Node &	trNode,
		std::string &	name,
		TransportPropertyType	tp_ind,
		thermo_t *	thermo
	)

virtual

Make one of several transport models, and return a base class pointer to it.

This method operates at the level of a single transport property as a function of temperature and possibly composition. It's a factory for LTPspecies classes.

Parameters

trNode	XML node
name	reference to the name
tp_ind	TransportPropertyType class
thermo	Pointer to the ThermoPhase class

Definition at line 251 of file TransportFactory.cpp.

References Cantera::lowercase(), and TransportFactory::m_LTRmodelMap.

Referenced by TransportFactory::getLiquidSpeciesTransportData().

LiquidTranInteraction * newLTI	(	const XML_Node &	trNode,
		TransportPropertyType	tp_ind,
		LiquidTransportParams &	trParam
	)

virtual

Factory function for the construction of new LiquidTranInteraction objects, which are transport models.

This method operates at the level of a single mixture transport property. Individual species transport properties are addressed by the LTPspecies returned by newLTP.

Parameters

trNode	XML_Node containing the information for the interaction
tp_ind	TransportPropertyType object
trParam	reference to the LiquidTransportParams object

Definition at line 283 of file TransportFactory.cpp.

References LiquidTranInteraction::init(), TransportFactory::m_LTImodelMap, and TransportParams::thermo.

Referenced by TransportFactory::getLiquidInteractionsTransportData().

Transport * newTransport	(	std::string	model,
		thermo_t *	thermo,
		int	log_level = `0`
	)

virtual

Build a new transport manager using a transport manager that may not be the same as in the phase description and return a base class pointer to it.

Parameters

model	String name for the transport manager
thermo	ThermoPhase object
log_level	log level

Definition at line 340 of file TransportFactory.cpp.

References DustyGasTransport::initialize(), TransportFactory::initLiquidTransport(), TransportFactory::initTransport(), TransportFactory::m_models, Phase::restoreState(), Phase::saveState(), and Transport::setThermo().

Referenced by Cantera::newDefaultTransportMgr(), TransportFactory::newTransport(), and Cantera::newTransportMgr().

Transport * newTransport	(	thermo_t *	thermo,
		int	log_level = `0`
	)

virtual

Build a new transport manager using the default transport manager in the phase description and return a base class pointer to it.

Parameters

thermo	ThermoPhase object
log_level	log level

Definition at line 411 of file TransportFactory.cpp.

References XML_Node::attrib(), XML_Node::child(), XML_Node::hasChild(), TransportFactory::newTransport(), and Phase::xml().

void initTransport	(	Transport *	tr,
		thermo_t *	thermo,
		int	mode = `0`,
		int	log_level = `0`
	)

virtual

Initialize an existing transport manager.

This routine sets up an existing gas-phase transport manager. It calculates the collision integrals and calls the initGas() function to populate the species-dependent data structure.

Parameters

tr	Pointer to the Transport manager
thermo	Pointer to the ThermoPhase object
mode	Chemkin compatible mode or not. This alters the specification of the collision integrals. defaults to no.
log_level	Defaults to zero, no logging In DEBUG_MODE, this routine will create the file transport_log.xml and write informative information to it.

Definition at line 639 of file TransportFactory.cpp.

References Transport::initGas(), TransportFactory::m_verbose, TransportFactory::setupMM(), ThermoPhase::speciesData(), TransportFactory::transport_mutex, and TransportParams::xml.

Referenced by TransportFactory::newTransport().

void initLiquidTransport	(	Transport *	tr,
		thermo_t *	thermo,
		int	log_level = `0`
	)

virtual

Initialize an existing transport manager for liquid phase.

This routine sets up an existing liquid-phase transport manager. It is similar to initTransport except that it uses the LiquidTransportParams class and calls setupLiquidTransport().

Parameters

tr	Pointer to the Transport manager
thermo	Pointer to the ThermoPhase object
log_level	Defaults to zero, no logging In DEBUG_MODE, this routine will create the file transport_log.xml and write informative information to it.

Definition at line 677 of file TransportFactory.cpp.

References Transport::initLiquid(), TransportFactory::m_verbose, TransportFactory::setupLiquidTransport(), and TransportParams::xml.

Referenced by TransportFactory::newTransport().

void getTransportData	(	const std::vector< const XML_Node * > &	xspecies,
		XML_Node &	log,
		const std::vector< std::string > &	names,
		GasTransportParams &	tr
	)

private

Read the transport database.

Read transport property data from a file for a list of species. Given the name of a file containing transport property parameters and a list of species names, this method returns an instance of TransportParams containing the transport data for these species read from the file.

Parameters

xspecies	Vector of pointers to species XML_Node databases.
log	reference to an XML_Node that will contain the log (unused)
names	vector of species names that must be filled in with valid transport parameters
tr	Output object containing the transport parameters for the species listed in names (in the order of their listing in names).

Definition at line 791 of file TransportFactory.cpp.

References GasTransportParams::alpha, Cantera::Boltzmann, XML_Node::child(), GasTransportParams::crot, GasTransportData::diameter, GasTransportParams::dipole, GasTransportData::dipoleMoment, GasTransportParams::eps, GasTransportData::geometry, ctml::getFloat(), ctml::getString(), ckr::max(), TransportParams::nsp_, GasTransportParams::polar, GasTransportData::polarizability, GasTransportData::rotRelaxNumber, CanteraError::save(), GasTransportParams::sigma, GasTransportData::speciesName, Cantera::SqrtTen, GasTransportData::wellDepth, and GasTransportParams::zrot.

Referenced by TransportFactory::setupMM().

void getLiquidSpeciesTransportData	(	const std::vector< const XML_Node * > &	db,
		XML_Node &	log,
		const std::vector< std::string > &	names,
		LiquidTransportParams &	tr
	)

private

Read transport property data from a file for a list of species that comprise the phase.

Given a vector of pointers to species XML data bases and a list of species names, this method constructs the LiquidTransport Params object containing the transport data for these species.

It is an error to not find a "transport" XML element within each of the species XML elements listed in the names vector.

Parameters

db	Reference to a vector of XML_Node pointers containing the species XML nodes.
log	Reference to an XML log file. (currently unused)
names	Vector of names of species. On output, tr will contain transport data for each of of these names in the order determined by this vector.
tr	Reference to the LiquidTransportParams object that will contain the results.

Definition at line 917 of file TransportFactory.cpp.

Referenced by TransportFactory::setupLiquidTransport().

void getLiquidInteractionsTransportData	(	const XML_Node &	phaseTran_db,
		XML_Node &	log,
		const std::vector< std::string > &	names,
		LiquidTransportParams &	tr
	)

private

Read transport property data from a file for interactions between species.

Given the XML_Node database for transport interactions defined within the current phase and a list of species names within the phase, this method returns an instance of TransportParams containing the transport data for these species read from the file.

This routine reads interaction parameters between species within the phase.

Parameters

phaseTran_db	Reference to the transport XML field for the phase
log	Reference to an XML log file. (currently unused)
names	Vector of names of species. On output, tr will contain transport data for each of of these names in the order determined by this vector.
tr	Reference to the LiquidTransportParams object that will contain the results.

Definition at line 1057 of file TransportFactory.cpp.

Referenced by TransportFactory::setupLiquidTransport().

void fitProperties	(	GasTransportParams &	tr,
		MMCollisionInt &	integrals,
		std::ostream &	logfile
	)

private

Generate polynomial fits to the viscosity, conductivity, and the binary diffusion coefficients.

If CK_mode, then the fits are of the form

\[ \log(\eta(i)) = \sum_{n = 0}^3 a_n(i) (\log T)^n \]

and

\[ \log(D(i,j)) = \sum_{n = 0}^3 a_n(i,j) (\log T)^n \]

Otherwise the fits are of the form

\[ \eta(i)/sqrt(k_BT) = \sum_{n = 0}^4 a_n(i) (\log T)^n \]

and

\[ D(i,j)/sqrt(k_BT)) = \sum_{n = 0}^4 a_n(i,j) (\log T)^n \]

Parameters

tr	Reference to the GasTransportParams object that will contain the results.
logfile	Reference to an ostream that will contain log information when in DEBUG_MODE
integrals	interpolator for the collision integrals

Definition at line 1175 of file TransportFactory.cpp.

Referenced by TransportFactory::setupMM().

void fitCollisionIntegrals	(	std::ostream &	logfile,
		GasTransportParams &	tr,
		MMCollisionInt &	integrals
	)

private

Generate polynomial fits to collision integrals.

Parameters

logfile	Reference to an ostream that will contain log information when in DEBUG_MODE
tr	Reference to the GasTransportParams object that will contain the results.
integrals	interpolator for the collision integrals

Definition at line 707 of file TransportFactory.cpp.

References GasTransportParams::astar_poly, GasTransportParams::bstar_poly, COLL_INT_POLY_DEGREE, GasTransportParams::cstar_poly, DATA_PTR, GasTransportParams::delta, MMCollisionInt::fit(), MMCollisionInt::fit_omega22(), GasTransportParams::fitlist, TransportParams::log_level, TransportFactory::m_verbose, TransportParams::mode_, TransportParams::nsp_, GasTransportParams::omega22_poly, GasTransportParams::poly, and TransportParams::xml.

Referenced by TransportFactory::setupMM().

void setupMM	(	std::ostream &	flog,
		const std::vector< const XML_Node * > &	transport_database,
		thermo_t *	thermo,
		int	mode,
		int	log_level,
		GasTransportParams &	tr
	)

private

Prepare to build a new kinetic-theory-based transport manager for low-density gases.

This class fills up the GastransportParams structure for the current phase

Uses polynomial fits to Monchick & Mason collision integrals. store then in tr

Parameters

flog	Reference to the ostream for writing log info
transport_database	Reference to a vector of pointers containing the transport database for each species
thermo	Pointer to the ThermoPhase object
mode	Mode -> Either it's CK_Mode, chemkin compatibility mode, or it is not We usually run with chemkin compatibility mode turned off.
log_level	log level
tr	GasTransportParams structure to be filled up with information

Definition at line 446 of file TransportFactory.cpp.

Referenced by TransportFactory::initTransport().

void setupLiquidTransport	(	std::ostream &	flog,
		thermo_t *	thermo,
		int	log_level,
		LiquidTransportParams &	trParam
	)

private

Prepare to build a new transport manager for liquids assuming that viscosity transport data is provided in Arrhenius form.

Parameters

flog	Reference to the ostream for writing log info
thermo	Pointer to the ThermoPhase object
log_level	log level
trParam	LiquidTransportParams structure to be filled up with information

Definition at line 579 of file TransportFactory.cpp.

References XML_Node::child(), LiquidTransportParams::diff_Dij, TransportFactory::getLiquidInteractionsTransportData(), TransportFactory::getLiquidSpeciesTransportData(), XML_Node::hasChild(), TransportParams::log_level, LiquidTransportParams::LTData, ThermoPhase::maxTemp(), ThermoPhase::minTemp(), Phase::molecularWeights(), TransportParams::mw, TransportParams::nsp_, Phase::nSpecies(), LiquidTransportParams::radius_Aij, DenseMatrix::resize(), ThermoPhase::speciesData(), Phase::speciesNames(), LiquidTransportParams::thermalCond_Aij, TransportParams::thermo, TransportParams::tmax, TransportParams::tmin, and Phase::xml().

Referenced by TransportFactory::initLiquidTransport().

void getBinDiffCorrection	(	doublereal	t,
		const GasTransportParams &	tr,
		MMCollisionInt &	integrals,
		size_t	k,
		size_t	j,
		doublereal	xk,
		doublereal	xj,
		doublereal &	fkj,
		doublereal &	fjk
	)

private

Second-order correction to the binary diffusion coefficients.

Calculate second-order corrections to binary diffusion coefficient pair (dkj, djk). At first order, the binary diffusion coefficients are independent of composition, and d(k,j) = d(j,k). But at second order, there is a weak dependence on composition, with the result that d(k,j) != d(j,k). This method computes the multiplier by which the first-order binary diffusion coefficient should be multiplied to produce the value correct to second order. The expressions here are taken from Marerro and Mason, J. Phys. Chem. Ref. Data, vol. 1, p. 3 (1972).

Parameters

t	Temperature (K)
tr	Transport parameters
integrals	interpolator for the collision integrals
k	index of first species
j	index of second species
xk	Mole fraction of species k
xj	Mole fraction of species j
fkj	multiplier for d(k,j)
fjk	multiplier for d(j,k)

Note: This method is not used currently.

Definition at line 79 of file TransportFactory.cpp.

References MMCollisionInt::astar(), Cantera::Boltzmann, MMCollisionInt::bstar(), MMCollisionInt::cstar(), GasTransportParams::delta, GasTransportParams::eps, TransportParams::mw, MMCollisionInt::omega11(), MMCollisionInt::omega22(), and GasTransportParams::sigma.

Referenced by TransportFactory::fitProperties().

void makePolarCorrections	(	size_t	i,
		size_t	j,
		const GasTransportParams &	tr,
		doublereal &	f_eps,
		doublereal &	f_sigma
	)

private

Corrections for polar-nonpolar binary diffusion coefficients.

Calculate corrections to the well depth parameter and the diameter for use in computing the binary diffusion coefficient of polar-nonpolar pairs. For more information about this correction, see Dixon-Lewis, Proc. Royal Society (1968).

Parameters

i	Species one - this is a bimolecular correction routine
j	species two - this is a bimolecular correction routine
tr	Database of species properties read in from the input xml file.
f_eps	Multiplicative correction factor to be applied to epsilon(i,j)
f_sigma	Multiplicative correction factor to be applied to diam(i,j)