Mixing rule using logarithms of the mole fractions. More...
#include <LiquidTranInteraction.h>
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_t * | m_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()
|
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()
|
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:
