AqueousSpecies Class Reference

A type to represent an aqueous species. More...

#include <AqueousSpecies.hpp>

Inheritance diagram for AqueousSpecies:

Collaboration diagram for AqueousSpecies:

Public Member Functions
	AqueousSpecies ()
	Construct a default AqueousSpecies instance.
	AqueousSpecies (const Species &species)
	Construct an AqueousSpecies instance from a Species instance.
auto	setCharge (double value) -> void
	Set the charge of the aqueous species.
auto	setDissociation (const std::map< std::string, double > &dissociation) -> void
	Set the dissociation of a neutral aqueous species into charged species. More...
auto	setThermoData (const AqueousSpeciesThermoData &thermo) -> void
	Set the thermodynamic data of the aqueous species.
auto	charge () const -> double
	Return the electrical charge of the aqueous species.
auto	dissociation () const -> const std::map< std::string, double > &
	Return the dissociation of the aqueous species.
auto	thermoData () const -> const AqueousSpeciesThermoData &
	Return the thermodynamic data of the aqueous species.
Public Member Functions inherited from Species
	Species ()
	Construct a default Species instance.
auto	setName (std::string name) -> void
	Set the name of the species.
auto	setFormula (std::string formula) -> void
	Set the formula of the species.
auto	setElements (const std::map< Element, double > &elements) -> void
	Set the elements of the species.
auto	numElements () const -> unsigned
	Return the number of elements of the species.
auto	name () const -> std::string
	Return the name of the species.
auto	formula () const -> std::string
	Return the formula of the species.
auto	elements () const -> const std::map< Element, double > &
	Return the elements that compose the species and their coefficients.
auto	molarMass () const -> double
	Return the molar mass of the species (in units of kg/mol).
auto	charge () const -> double
	Return the electrical charge of the species.
auto	elementCoefficient (std::string element) const -> double
	Return the stoichiometry of an element in the species.

Detailed Description

A type to represent an aqueous species.

Member Function Documentation

setDissociation()

auto setDissociation

(

const std::map< std::string, double > &

dissociation

)

-> void

Set the dissociation of a neutral aqueous species into charged species.

For example, the dissociation of the aqueous species CaCl₂(aq) produces 1 atom of Ca²⁺ and 2 atoms of Cl^-.

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The documentation for this class was generated from the following files:

• Reaktoro/Thermodynamics/Species/AqueousSpecies.hpp
• Reaktoro/Thermodynamics/Species/AqueousSpecies.cpp