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

Detailed Description

A struct that defines the interaction parameters for the Pitzer model described in Harvie, Møller, and Weare (1984).

This struct stores the binary and ternary interaction parameters for the Pitzer model described in Harvie, C.E., Møller, N. and Weare, J.H., 1984. The prediction of mineral solubilities in natural waters: The Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O system to high ionic strengths at 25°C. Geochimica et Cosmochimica Acta, 48(4), pp.723–751.

#include <EosParamsPitzer.hpp>

Collaboration diagram for Reaktoro::EosParamsPitzer:

Public Member Functions

 EosParamsPitzer ()
 Construct a default EosParamsPitzer instance.
 
 EosParamsPitzer (std::string filename)
 Construct a EosParamsPitzer instance by parsing a file with Pitzer parameters.
 

Public Attributes

std::vector< std::tuple< std::string, std::string, std::vector< double > > > beta0
 The binary interaction parameters \( \beta_0 \) of the Pizer model of Harvie, Møller, and Weare (1984).
 
std::vector< std::tuple< std::string, std::string, std::vector< double > > > beta1
 The binary interaction parameters \( \beta_1 \) of the Pizer model of Harvie, Møller, and Weare (1984).
 
std::vector< std::tuple< std::string, std::string, std::vector< double > > > beta2
 The binary interaction parameters \( \beta_2 \) of the Pizer model of Harvie, Møller, and Weare (1984).
 
std::vector< std::tuple< std::string, std::string, std::vector< double > > > cphi
 The binary interaction parameters \( \C^{\phi} \) of the Pizer model of Harvie, Møller, and Weare (1984).
 
std::vector< std::tuple< std::string, std::string, double > > theta
 The binary interaction parameters \( \theta \) of the Pizer model of Harvie, Møller, and Weare (1984).
 
std::vector< std::tuple< std::string, std::string, double > > lambda
 The binary interaction parameters \( \lambda \) of the Pizer model of Harvie, Møller, and Weare (1984).
 
std::vector< std::tuple< std::string, std::string, std::string, double > > psi
 The ternary interaction parameters \( \psi \) of the Pizer model of Harvie, Møller, and Weare (1984).
 
std::vector< std::tuple< std::string, std::string, std::string, double > > zeta
 The ternary interaction parameters \( \zeta \) of the Pizer model of Harvie, Møller, and Weare (1984).
 

The documentation for this struct was generated from the following files:
  • Reaktoro/Thermodynamics/EOS/EosParamsPitzer.hpp
  • Reaktoro/Thermodynamics/EOS/EosParamsPitzer.cpp