Cantera  2.4.0
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LTI_Log_MoleFracs Class Reference

Mixing rule using logarithms of the mole fractions. More...

#include <LiquidTranInteraction.h>

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

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

Additional Inherited Members

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

Detailed Description

Mixing rule using logarithms of the mole fractions.

This model is based on the idea that liquid molecules are generally interacting with some energy and entropy of interaction. For transport properties that depend on these energies of interaction, the mixture transport property can be written in terms of its logarithm

\[ \ln \eta_{mix} = \sum_i X_i \ln \eta_i + \sum_i \sum_j X_i X_j ( S_{i,j} + E_{i,j} / T ) \]

.

These additional interaction terms multiply the mixture property by

\[ \exp( \sum_{i} \sum_{j} X_i X_j ( S_{i,j} + E_{i,j} / T ) ) \]

so that the self-interaction terms \( S_{i,j} \) and \( E_{i,j} \) should be zero.

Note that the energies and entropies of interaction should be a function of the composition themselves, but this is not yet implemented. (We might follow the input of Margules model thermodynamic data for the purpose of implementing this.)

Sample input for this method is

*    <transport model="Liquid">
*       <viscosity>
*          <compositionDependence model="logMoleFractions">
*             <interaction speciesA="Li+" speciesB="K+">
*               <!--
*                 interactions are from speciesA = LiCl(L)
*                 and speciesB = KCl(L).
*                   -->
*                <Eij units="J/kmol"> -1.0e3 </Eij>
*                <Sij units="J/kmol/K"> 80.0e-5 </Sij>
*             </interaction>
*          </compositionDependence>
*       </viscosity>
*    </transport>
*  

Definition at line 307 of file LiquidTranInteraction.h.

Member Function Documentation

◆ getMixTransProp()

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 341 of file LiquidTranInteraction.cpp.

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

◆ getMatrixTransProp()

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

Return the matrix of binary interaction parameters.

Takes the proper mixing rule for the binary interaction parameters and calculates them: Not implemented for this mixing rule.

Reimplemented from LiquidTranInteraction.

Definition at line 328 of file LiquidTranInteraction.h.

References LiquidTranInteraction::m_Eij.


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