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 å 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 å and b of the ionic species to zero.
auto	setKielland () -> void
	Set the parameters å of the ionic species according to Kielland (1937).
auto	setWATEQ4F () -> void
	Set the parameters å and b of the ionic species according to WATEQ4F.
auto	setPHREEQC () -> void
	Set the parameters å and b of the ionic species according to PHREEQC.

Public Attributes
real	aiondefault = 0.0
	The default value of the å 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, real >	aions
	The parameters å of specific ionic species.
Map< String, real >	bions
	The parameters b of specific ionic species.
Map< String, real >	bneutrals
	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

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

• Reaktoro/Models/ActivityModels/ActivityModelDebyeHuckel.hpp