Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::MineralSpeciesThermoParamsHKF Struct Reference

Detailed Description

A type for storing the parameters of the HKF equation of state for a mineral species.

#include <ThermoData.hpp>

Collaboration diagram for Reaktoro::MineralSpeciesThermoParamsHKF:

Public Attributes

double Gf
 The apparent standard molal Gibbs free energy of formation of the species from its elements (in units of cal/mol)
 
double Hf
 The apparent standard molal enthalpy of formation of the species from its elements (in units of cal/mol)
 
double Sr
 The standard molal entropy of the species at reference temperature and pressure (in units of cal/(mol�K))
 
double Vr
 The standard molal volume of the mineral species at reference temperature and pressure (in units of cm^3/mol)
 
int nptrans
 The number of phase transitions that the mineral may undergo.
 
std::vector< double > a
 The coefficients ai of the HKF equation of state of the mineral species for each phase region (in units of cal/(mol�K))
 
std::vector< double > b
 The coefficients bi of the HKF equation of state of the mineral species for each phase region (in units of cal/(mol�K^2))
 
std::vector< double > c
 The coefficients ci of the HKF equation of state of the mineral species for each phase region (in units of (cal�K)/mol)
 
std::vector< double > Ttr
 The temperatures at which the mineral experiences phase transition along the line of reference pressure (in units of K)
 
std::vector< double > Htr
 The change in the standard molal enthalpy of each mineral phase transition (in units of cal/mol)
 
std::vector< double > Vtr
 The change in the standard molal volume of each mineral phase transition (in units of cm^3/mol)
 
std::vector< double > dPdTtr
 The Clapeyron slote at each mineral phase transition (in units of bar/K)
 
double Tmax
 The maximum temperature at which the HKF equation of state can be applied for the mineral (in units of K)
 

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