Reaktoro  v2.1.1
A unified framework for modeling chemically reactive systems
StandardThermoModelParamsMineralHKF Struct Reference

The parameters in the Maier-Kelley-HKF model for calculating standard thermodynamic properties of mineral species. More...

#include <StandardThermoModelMineralHKF.hpp>

Collaboration diagram for StandardThermoModelParamsMineralHKF:
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Public Attributes

Param Gf
 The apparent standard Gibbs free energy of formation of the mineral substance from its elements (in J/mol).
 
Param Hf
 The apparent standard enthalpy of formation of the mineral substance from its elements (in J/mol).
 
Param Sr
 The standard entropy of the mineral substance at reference temperature and pressure (in J/(mol·K)).
 
Param Vr
 The standard volume of the mineral substance at reference temperature and pressure (in m³/mol).
 
Index ntr
 The number of phase transitions considered in the mineral.
 
Vec< Parama
 The coefficients a(i) of the Maier-Kelley-HKF mineral thermodynamic model for each phase region (in J/(mol·K)).
 
Vec< Paramb
 The coefficients b(i) of the Maier-Kelley-HKF mineral thermodynamic model for each phase region (in J/(mol·K²)).
 
Vec< Paramc
 The coefficients c(i) of the Maier-Kelley-HKF mineral thermodynamic model for each phase region (in (J·K)/mol).
 
Vec< ParamTtr
 The temperatures at which the mineral experiences phase transition along the line of reference pressure (in K).
 
Vec< ParamHtr
 The change in the standard enthalpy of each mineral phase transition (in J/mol).
 
Vec< ParamVtr
 The change in the standard volume of each mineral phase transition (in m³/mol).
 
Vec< ParamdPdTtr
 The Clapeyron slote at each mineral phase transition (in Pa/K).
 
real Tmax
 The maximum temperature at which the Maier-Kelley-HKF model can be applied for the substance (optional, in K).
 

Detailed Description

The parameters in the Maier-Kelley-HKF model for calculating standard thermodynamic properties of mineral species.


The documentation for this struct was generated from the following file: