Cantera  2.0
Public Member Functions | Protected Attributes | List of all members
LTI_Pairwise_Interaction Class Reference

Transport properties that act like pairwise interactions as in binary diffusion coefficients. More...

#include <LiquidTranInteraction.h>

Inheritance diagram for LTI_Pairwise_Interaction:
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Collaboration diagram for LTI_Pairwise_Interaction:
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Public Member Functions

 LTI_Pairwise_Interaction (TransportPropertyType tp_ind=TP_UNKNOWN)
 
virtual ~LTI_Pairwise_Interaction ()
 Copy constructor.
 
void setParameters (LiquidTransportParams &trParam)
 
doublereal getMixTransProp (doublereal *valueSpecies, doublereal *weightSpecies=0)
 Return the mixture transport property value.
 
doublereal getMixTransProp (std::vector< LTPspecies * > LTPptrs)
 
void getMatrixTransProp (DenseMatrix &mat, doublereal *speciesValues=0)
 Return the matrix of binary interaction parameters.
 
virtual void init (const XML_Node &compModelNode=0, thermo_t *thermo=0)
 initialize LiquidTranInteraction objects with thermo and XML node
 

Protected Attributes

std::vector< LTPspecies * > m_diagonals
 
LiquidTranMixingModel m_model
 Model for species interaction effects Takes enum LiquidTranMixingModel.
 
TransportPropertyType m_property
 enum indicating what property this is (i.e viscosity)
 
thermo_t * m_thermo
 pointer to thermo object to get current temperature
 
std::vector< DenseMatrix * > m_Aij
 Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (no temperature dependence, dimensionless)
 
std::vector< DenseMatrix * > m_Bij
 Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (linear temperature dependence, units 1/K)
 
DenseMatrix m_Eij
 Matrix of interactions (in energy units, 1/RT temperature dependence)
 
std::vector< DenseMatrix * > m_Hij
 Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (in energy units, 1/RT temperature dependence)
 
std::vector< DenseMatrix * > m_Sij
 Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (in entropy units, divided by R)
 
DenseMatrix m_Dij
 Matrix of interactions.
 

Detailed Description

Transport properties that act like pairwise interactions as in binary diffusion coefficients.

This class holds parameters for transport properties expressed as a matrix of pairwise interaction parameters. Input can be provided for constant or Arrhenius forms of the separate parameters.

Sample input for this method is 

*    <transport model="Liquid">
*       <speciesDiffusivity>
*          <compositionDependence model="pairwiseInteraction">
*             <interaction speciesA="LiCl(L)" speciesB="KCl(L)">
*                <Dij units="m/s"> 1.0e-8 </Dij>
*                <Eij units="J/kmol"> 24.0e6 </Eij>
*             </interaction>
*          </compositionDependence>
*       </speciesDiffusivity>
*    </transport>
*

Definition at line 434 of file LiquidTranInteraction.h.

Constructor & Destructor Documentation

virtual ~LTI_Pairwise_Interaction ( )
inlinevirtual

Copy constructor.

Assignment operator

Definition at line 450 of file LiquidTranInteraction.h.

Member Function Documentation

doublereal getMixTransProp ( doublereal *  valueSpecies,
doublereal *  weightSpecies = 0 
)
virtual

Return the mixture transport property value.

Takes the separate species transport properties as input (this method does not know what transport property it is at this point.

Reimplemented from LiquidTranInteraction.

Definition at line 567 of file LiquidTranInteraction.cpp.

References Phase::getMoleFractions(), LiquidTranInteraction::m_thermo, and Phase::nSpecies().

void getMatrixTransProp ( DenseMatrix &  mat,
doublereal *  speciesValues = 0 
)
virtual

Return the matrix of binary interaction parameters.

Takes the proper mixing rule for the binary interaction parameters and calculates them

Reimplemented from LiquidTranInteraction.

Definition at line 596 of file LiquidTranInteraction.cpp.

References Phase::getMoleFractions(), LiquidTranInteraction::m_Dij, LiquidTranInteraction::m_Eij, LiquidTranInteraction::m_thermo, Phase::nSpecies(), DenseMatrix::resize(), and Phase::temperature().

void init ( const XML_Node &  compModelNode = 0,
thermo_t *  thermo = 0 
)
virtualinherited

initialize LiquidTranInteraction objects with thermo and XML node

Parameters
compModelNode
<compositionDependence>
XML node
thermoPointer to thermo object

Definition at line 86 of file LiquidTranInteraction.cpp.

References XML_Node::attrib(), XML_Node::child(), Cantera::GasConstant, ctml::getFloat(), ctml::getFloatArray(), XML_Node::hasChild(), Cantera::lowercase(), LiquidTranInteraction::m_Aij, LiquidTranInteraction::m_Bij, LiquidTranInteraction::m_Dij, LiquidTranInteraction::m_Eij, LiquidTranInteraction::m_Hij, LiquidTranInteraction::m_Sij, LiquidTranInteraction::m_thermo, XML_Node::name(), XML_Node::nChildren(), Cantera::npos, Phase::nSpecies(), DenseMatrix::resize(), and Phase::speciesIndex().

Referenced by TransportFactory::newLTI().

Member Data Documentation

LiquidTranMixingModel m_model
protectedinherited

Model for species interaction effects Takes enum LiquidTranMixingModel.

Definition at line 159 of file LiquidTranInteraction.h.

Referenced by LiquidTranInteraction::operator=().

TransportPropertyType m_property
protectedinherited

enum indicating what property this is (i.e viscosity)

Definition at line 162 of file LiquidTranInteraction.h.

Referenced by LiquidTranInteraction::operator=().

thermo_t* m_thermo
protectedinherited

pointer to thermo object to get current temperature

Definition at line 165 of file LiquidTranInteraction.h.

Referenced by LTI_Pairwise_Interaction::getMatrixTransProp(), LTI_StefanMaxwell_PPN::getMatrixTransProp(), LTI_MoleFracs::getMixTransProp(), LTI_MassFracs::getMixTransProp(), LTI_Log_MoleFracs::getMixTransProp(), LTI_Pairwise_Interaction::getMixTransProp(), LTI_StefanMaxwell_PPN::getMixTransProp(), LTI_MoleFracs_ExpT::getMixTransProp(), LiquidTranInteraction::init(), and LiquidTranInteraction::operator=().

std::vector<DenseMatrix*> m_Aij
protectedinherited

Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (no temperature dependence, dimensionless)

Definition at line 171 of file LiquidTranInteraction.h.

Referenced by LTI_MoleFracs::getMatrixTransProp(), LTI_MassFracs::getMatrixTransProp(), LTI_MoleFracs_ExpT::getMatrixTransProp(), LTI_MoleFracs::getMixTransProp(), LTI_MassFracs::getMixTransProp(), LTI_MoleFracs_ExpT::getMixTransProp(), LiquidTranInteraction::init(), LiquidTranInteraction::operator=(), and LiquidTranInteraction::~LiquidTranInteraction().

std::vector<DenseMatrix*> m_Bij
protectedinherited

Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (linear temperature dependence, units 1/K)

Definition at line 175 of file LiquidTranInteraction.h.

Referenced by LTI_MoleFracs::getMixTransProp(), LTI_MassFracs::getMixTransProp(), LTI_MoleFracs_ExpT::getMixTransProp(), LiquidTranInteraction::init(), LiquidTranInteraction::operator=(), and LiquidTranInteraction::~LiquidTranInteraction().

DenseMatrix m_Eij
protectedinherited

Matrix of interactions (in energy units, 1/RT temperature dependence)

Definition at line 178 of file LiquidTranInteraction.h.

Referenced by LTI_Log_MoleFracs::getMatrixTransProp(), LTI_Pairwise_Interaction::getMatrixTransProp(), LiquidTranInteraction::init(), and LiquidTranInteraction::operator=().

std::vector<DenseMatrix*> m_Hij
protectedinherited

Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (in energy units, 1/RT temperature dependence)

Definition at line 182 of file LiquidTranInteraction.h.

Referenced by LTI_Log_MoleFracs::getMixTransProp(), LiquidTranInteraction::init(), LiquidTranInteraction::operator=(), and LiquidTranInteraction::~LiquidTranInteraction().

std::vector<DenseMatrix*> m_Sij
protectedinherited

Matrix of interaction coefficients for polynomial in molefraction*weight of speciesA (in entropy units, divided by R)

Definition at line 186 of file LiquidTranInteraction.h.

Referenced by LTI_Log_MoleFracs::getMixTransProp(), LiquidTranInteraction::init(), LiquidTranInteraction::operator=(), and LiquidTranInteraction::~LiquidTranInteraction().

DenseMatrix m_Dij
protectedinherited

Matrix of interactions.

Definition at line 189 of file LiquidTranInteraction.h.

Referenced by LTI_Pairwise_Interaction::getMatrixTransProp(), LiquidTranInteraction::init(), and LiquidTranInteraction::operator=().

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