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

The parameters in the Debye–Hückel activity model for aqueous electrolyte solutions. More...

#include <ActivityModelDebyeHuckel.hpp>

Public Member Functions

auto aion (const ChemicalFormula &ion) const -> real
 Return the parameter of the ionic species with given formula.
 
auto bion (const ChemicalFormula &ion) const -> real
 Return the b parameter of the ionic species with given formula.
 
auto bneutral (const ChemicalFormula &neutral) const -> real
 Return the b parameter of the neutral species with given formula.
 
auto setLimitingLaw () -> void
 Set the parameters and b of the ionic species to zero.
 
auto setKielland () -> void
 Set the parameters of the ionic species according to Kielland (1937).
 
auto setWATEQ4F () -> void
 Set the parameters and b of the ionic species according to WATEQ4F.
 
auto setPHREEQC () -> void
 Set the parameters and b of the ionic species according to PHREEQC.
 

Public Attributes

real aiondefault = 0.0
 The default value of the parameter for ionic species.
 
real biondefault = 0.0
 The default value of the b parameter for ionic species.
 
real bneutraldefault = 0.1
 The default value of the b parameter for neutral species.
 
Map< String, realaions
 The parameters of specific ionic species.
 
Map< String, realbions
 The parameters b of specific ionic species.
 
Map< String, realbneutrals
 The parameters b of specific neutral species.
 

Detailed Description

The parameters in the Debye–Hückel activity model for aqueous electrolyte solutions.

See also
Debye–Hückel activity model

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