LiquidTransportParams Class Reference

Composition dependence type for liquid mixture transport properties. More...

#include <LiquidTransportParams.h>

Inheritance diagram for LiquidTransportParams:

Collaboration diagram for LiquidTransportParams:

Public Member Functions
	LiquidTransportParams ()
	Constructor.
	~LiquidTransportParams ()
	Destructor.
	LiquidTransportParams (const LiquidTransportParams &right)
	Copy constructor.
LiquidTransportParams &	operator= (const LiquidTransportParams &right)
	Assignment operator.

Public Attributes
std::vector < Cantera::LiquidTransportData >	LTData
	Species transport parameters.
LiquidTranInteraction *	viscosity
	Object that specifies the viscosity interaction for the mixture.
LiquidTranInteraction *	ionConductivity
	Object that specifes the ionic Conductivity of the mixture.
std::vector < LiquidTranInteraction * >	mobilityRatio
	Vector of pointer to the LiquidTranInteraction object which handles the calculation of each species' mobility ratios for the phase.
std::vector < LiquidTranInteraction * >	selfDiffusion
	Vector of pointer to the LiquidTranInteraction object which handles the calculation of each species' self diffusion coefficient for the phase.
LiquidTranInteraction *	thermalCond
	Pointer to the LiquidTranInteraction object which handles the calculation of the mixture thermal conductivity for the phase.
LiquidTranInteraction *	speciesDiffusivity
	Pointer to the LiquidTranInteraction object which handles the calculation of the species diffusivity for the phase.
LiquidTranInteraction *	electCond
	Pointer to the LiquidTranInteraction object which handles the calculation of the electrical conductivity for the phase.
LiquidTranInteraction *	hydroRadius
	Pointer to the LiquidTranInteraction object which handles the calculation of the hydrodynamic radius for the phase.
LiquidTranMixingModel	model_viscosity
	Model for species interaction effects for viscosity Takes enum LiquidTranMixingModel.
LiquidTranMixingModel	model_ionConductivity
	Model for species interaction effects for ionic conductivity Takes enum LiquidTranMixingModel.
std::vector < LiquidTranMixingModel * >	model_mobilityRatio
	Model for species interaction effects for mobility ratio Takes enum LiquidTranMixingModel.
std::vector < LiquidTranMixingModel * >	model_selfDiffusion
	Model for species interaction effects for mobility ratio Takes enum LiquidTranMixingModel.
DenseMatrix	thermalCond_Aij
	Interaction associated with linear weighting of thermal conductivity.
LiquidTranMixingModel	model_speciesDiffusivity
	Model for species interaction effects for mass diffusivity Takes enum LiquidTranMixingModel.
DenseMatrix	diff_Dij
	Interaction associated with linear weighting of thermal conductivity.
LiquidTranMixingModel	model_hydroradius
	Model for species interaction effects for hydrodynamic radius Takes enum LiquidTranMixingModel.
DenseMatrix	radius_Aij
	Interaction associated with hydrodynamic radius.
size_t	nsp_
	Local storage of the number of species.
thermo_t *	thermo
	Pointer to the ThermoPhase object.
vector_fp	mw
	Local storage of the molecular weights of the species.
VelocityBasis	velocityBasis_
	A basis for the average velocity can be specified.
doublereal	tmax
	Maximum temperatures for parameter fits.
doublereal	tmin
	Minimum temperatures for parameter fits.
int	mode_
	Mode parameter.
XML_Writer *	xml
	Pointer to the xml tree describing the implementation of transport for this object.
int	log_level
	Log level.

Detailed Description

Composition dependence type for liquid mixture transport properties.

Types of temperature dependencies:

• 0 - Mixture calculations with this property are not allowed
• 1 - Use solvent (species 0) properties
• 2 - Properties weighted linearly by mole fractions
• 3 - Properties weighted linearly by mass fractions
• 4 - Properties weighted logarithmically by mole fractions (interaction energy weighting)

• 5 - Interactions given pairwise between each possible species (i.e. D_ij)

  *    <transport model="Liquid">
  *       <viscosity>
  *          <compositionDependence model="logMoleFractions">
  *             <interaction>
  *                <speciesA> LiCl(L) </speciesA>
  *                <speciesB> KCl(L)  </speciesB>
  *                <Eij units="J/kmol"> -1.0 </Eij>
  *                <Sij units="J/kmol/K"> 1.0E-1 </Sij>
  *     -or-       <Sij>
  *                  <floatArray units="J/kmol/K"> 1.0E-1, 0.001 0.01 </floatArray>
  *                </Sij>
  *     -same form for Hij,Aij,Bij-
  *             </interaction>
  *          </compositionDependence>
  *       </viscosity>
  *       <speciesDiffusivity>
  *          <compositionDependence model="pairwiseInteraction">
  *             <interaction>
  *                <speciesA> Li+ </speciesA>
  *                <speciesB> K+  </speciesB>
  *                <Dij units="m2/s"> 1.5 </Dij>
  *             </interaction>
  *             <interaction>
  *                <speciesA> K+  </speciesA>
  *                <speciesB> Cl- </speciesB>
  *                <Dij units="m2/s"> 1.0 </Dij>
  *             </interaction>
  *             <interaction>
  *                <speciesA> Li+  </speciesA>
  *                <speciesB> Cl-  </speciesB>
  *                <Dij units="m2/s"> 1.2 </Dij>
  *             </interaction>
  *          </compositionDependence>
  *       </speciesDiffusivity>
  *       <thermalConductivity>
  *          <compositionDependence model="massFractions"/>
  *       </thermalConductivity>
  *       <hydrodynamicRadius>
  *          <compositionDependence model="none"/>
  *       </hydrodynamicRadius>
  *    </transport>
  *   

  Class LiquidTransportParams holds transport model parameters relevant to transport in mixtures.

This class is used by TransportFactory to initialize transport objects.

Definition at line 85 of file LiquidTransportParams.h.

Constructor & Destructor Documentation

LiquidTransportParams

(

)

Constructor.

Definition at line 26 of file LiquidTransportParams.cpp.

~LiquidTransportParams

(

)

Destructor.

Definition at line 44 of file LiquidTransportParams.cpp.

References LiquidTransportParams::electCond, LiquidTransportParams::hydroRadius, LiquidTransportParams::ionConductivity, LiquidTransportParams::speciesDiffusivity, LiquidTransportParams::thermalCond, and LiquidTransportParams::viscosity.

LiquidTransportParams

(

const LiquidTransportParams &

right

)

Copy constructor.

Parameters

right

Object to be copied

Definition at line 54 of file LiquidTransportParams.cpp.

References LiquidTransportParams::operator=().

Member Function Documentation

LiquidTransportParams & operator=

(

const LiquidTransportParams &

right

)

Assignment operator.

Parameters

right

Object to be copied

Definition at line 70 of file LiquidTransportParams.cpp.

References LiquidTransportParams::diff_Dij, LiquidTransportParams::electCond, LiquidTransportParams::hydroRadius, LiquidTransportParams::ionConductivity, LiquidTransportParams::LTData, LiquidTransportParams::mobilityRatio, LiquidTransportParams::model_hydroradius, LiquidTransportParams::model_ionConductivity, LiquidTransportParams::model_mobilityRatio, LiquidTransportParams::model_selfDiffusion, LiquidTransportParams::model_speciesDiffusivity, LiquidTransportParams::model_viscosity, LiquidTransportParams::radius_Aij, LiquidTransportParams::selfDiffusion, LiquidTransportParams::speciesDiffusivity, LiquidTransportParams::thermalCond, LiquidTransportParams::thermalCond_Aij, and LiquidTransportParams::viscosity.

Referenced by LiquidTransportParams::LiquidTransportParams().

Member Data Documentation

std::vector<Cantera::LiquidTransportData> LTData

Species transport parameters.

Definition at line 109 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidSpeciesTransportData(), LiquidTransport::initLiquid(), SimpleTransport::initLiquid(), LiquidTransportParams::operator=(), and TransportFactory::setupLiquidTransport().

LiquidTranInteraction* viscosity

Object that specifies the viscosity interaction for the mixture.

Definition at line 112 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransport::initLiquid(), LiquidTransportParams::operator=(), and LiquidTransportParams::~LiquidTransportParams().

LiquidTranInteraction* ionConductivity

Object that specifes the ionic Conductivity of the mixture.

Definition at line 115 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransport::initLiquid(), LiquidTransportParams::operator=(), and LiquidTransportParams::~LiquidTransportParams().

std::vector<LiquidTranInteraction*> mobilityRatio

Vector of pointer to the LiquidTranInteraction object which handles the calculation of each species' mobility ratios for the phase.

mobRat(i,j) = mu_i / mu_j

It is returned in fortran-ordering format. ie. it is returned as mobRat[k], where

k = j * nsp + i

Definition at line 126 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransport::initLiquid(), and LiquidTransportParams::operator=().

std::vector<LiquidTranInteraction*> selfDiffusion

Vector of pointer to the LiquidTranInteraction object which handles the calculation of each species' self diffusion coefficient for the phase.

Definition at line 130 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransport::initLiquid(), and LiquidTransportParams::operator=().

LiquidTranInteraction* thermalCond

Pointer to the LiquidTranInteraction object which handles the calculation of the mixture thermal conductivity for the phase.

Definition at line 134 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransport::initLiquid(), LiquidTransportParams::operator=(), and LiquidTransportParams::~LiquidTransportParams().

LiquidTranInteraction* speciesDiffusivity

Pointer to the LiquidTranInteraction object which handles the calculation of the species diffusivity for the phase.

Definition at line 138 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransport::initLiquid(), LiquidTransportParams::operator=(), and LiquidTransportParams::~LiquidTransportParams().

LiquidTranInteraction* electCond

Pointer to the LiquidTranInteraction object which handles the calculation of the electrical conductivity for the phase.

Definition at line 142 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransportParams::operator=(), and LiquidTransportParams::~LiquidTransportParams().

LiquidTranInteraction* hydroRadius

Pointer to the LiquidTranInteraction object which handles the calculation of the hydrodynamic radius for the phase.

Note

I don't understand at the moment how one can define a hydrodynamic radius for the phase

Definition at line 150 of file LiquidTransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), LiquidTransportParams::operator=(), and LiquidTransportParams::~LiquidTransportParams().

LiquidTranMixingModel model_viscosity

Model for species interaction effects for viscosity Takes enum LiquidTranMixingModel.

Definition at line 154 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=().

LiquidTranMixingModel model_ionConductivity

Model for species interaction effects for ionic conductivity Takes enum LiquidTranMixingModel.

Definition at line 158 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=().

std::vector<LiquidTranMixingModel*> model_mobilityRatio

Model for species interaction effects for mobility ratio Takes enum LiquidTranMixingModel.

Definition at line 162 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=().

std::vector<LiquidTranMixingModel*> model_selfDiffusion

Model for species interaction effects for mobility ratio Takes enum LiquidTranMixingModel.

Definition at line 166 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=().

DenseMatrix thermalCond_Aij

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

\[ \eta_{mix} = \sum_i X_i \eta_i + \sum_i \sum_j X_i X_j A_{i,j} \]

.

Definition at line 178 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=(), and TransportFactory::setupLiquidTransport().

LiquidTranMixingModel model_speciesDiffusivity

Model for species interaction effects for mass diffusivity Takes enum LiquidTranMixingModel.

Definition at line 182 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=().

DenseMatrix diff_Dij

Interaction associated with linear weighting of thermal conductivity.

This is used for either LTI_MODEL_PAIRWISE_INTERACTION or LTI_MODEL_STEFANMAXWELL_PPN. These provide species interaction coefficients associated with the Stefan-Maxwell formulation.

Definition at line 191 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=(), and TransportFactory::setupLiquidTransport().

LiquidTranMixingModel model_hydroradius

Model for species interaction effects for hydrodynamic radius Takes enum LiquidTranMixingModel.

Definition at line 195 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=().

DenseMatrix radius_Aij

Interaction associated with hydrodynamic radius.

Not yet implemented

Definition at line 201 of file LiquidTransportParams.h.

Referenced by LiquidTransportParams::operator=(), and TransportFactory::setupLiquidTransport().

size_t nsp_

inherited

Local storage of the number of species.

Definition at line 54 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), TransportFactory::fitProperties(), TransportFactory::getLiquidInteractionsTransportData(), TransportFactory::getLiquidSpeciesTransportData(), TransportFactory::getTransportData(), TransportFactory::setupLiquidTransport(), and TransportFactory::setupMM().

thermo_t* thermo

inherited

Pointer to the ThermoPhase object.

Definition at line 57 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), TransportFactory::getLiquidInteractionsTransportData(), TransportFactory::getLiquidSpeciesTransportData(), GasTransport::initGas(), LiquidTransport::initLiquid(), SimpleTransport::initLiquid(), AqueousTransport::initLiquid(), TransportFactory::newLTI(), TransportFactory::setupLiquidTransport(), and TransportFactory::setupMM().

vector_fp mw

inherited

Local storage of the molecular weights of the species.

Length is nsp_ and units are kg kmol-1.

Definition at line 63 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), TransportFactory::getBinDiffCorrection(), TransportFactory::setupLiquidTransport(), and TransportFactory::setupMM().

VelocityBasis velocityBasis_

inherited

A basis for the average velocity can be specified.

Valid bases include "mole", "mass", and "species" names.

Definition at line 69 of file TransportParams.h.

Referenced by TransportFactory::getLiquidInteractionsTransportData(), and LiquidTransport::initLiquid().

doublereal tmax

inherited

Maximum temperatures for parameter fits.

Definition at line 72 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), TransportFactory::setupLiquidTransport(), and TransportFactory::setupMM().

doublereal tmin

inherited

Minimum temperatures for parameter fits.

Definition at line 75 of file TransportParams.h.

Referenced by TransportFactory::fitProperties(), TransportFactory::setupLiquidTransport(), and TransportFactory::setupMM().

int mode_

inherited

Mode parameter.

Definition at line 78 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), TransportFactory::fitProperties(), GasTransport::initGas(), LiquidTransport::initLiquid(), AqueousTransport::initLiquid(), and TransportFactory::setupMM().

XML_Writer* xml

inherited

Pointer to the xml tree describing the implementation of transport for this object.

Definition at line 81 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), TransportFactory::fitProperties(), TransportFactory::initLiquidTransport(), TransportFactory::initTransport(), TransportFactory::setupMM(), and TransportParams::~TransportParams().

int log_level

inherited

Log level.

Definition at line 84 of file TransportParams.h.

Referenced by TransportFactory::fitCollisionIntegrals(), TransportFactory::fitProperties(), TransportFactory::setupLiquidTransport(), and TransportFactory::setupMM().

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The documentation for this class was generated from the following files:

• LiquidTransportParams.h
• LiquidTransportParams.cpp