MineralReaction Class Reference

Public Member Functions
	MineralReaction ()
	Construct a default MineralReaction instance.
	MineralReaction (std::string mineral)
	Construct a MineralReaction instance with the mineral name.
auto	setMineral (std::string mineral) -> MineralReaction &
	Set the name of the mineral species in the reaction.
auto	setEquation (const ReactionEquation &equation) -> MineralReaction &
	Set the equation of the mineral reaction. More...
auto	setEquation (std::string equation) -> MineralReaction &
	Set the equation of the mineral reaction. More...
auto	setEquilibriumConstant (const ThermoScalarFunction &lnk) -> MineralReaction &
	Set the equilibrium constant of the mineral reaction (in natural log scale). More...
auto	setSpecificSurfaceArea (double value, std::string unit) -> MineralReaction &
	Set the specific surface area of the mineral. More...
auto	setSurfaceArea (double value, std::string unit) -> MineralReaction &
	Set the surface area of the mineral. More...
auto	addMechanism (std::string mechanism) -> MineralReaction &
	Adds a mineral mechanism to the kinetic rate model of the mineral reaction. More...
auto	addMechanism (const MineralMechanism &mechanism) -> MineralReaction &
	Adds a mineral mechanism to the kinetic rate model of the mineral reaction. More...
auto	setMechanisms (const std::vector< MineralMechanism > &mechanisms) -> MineralReaction &
	Set the mineral mechanisms of the kinetic rate model of the mineral reaction. More...
auto	mineral () const -> std::string
	Return the name of the mineral species in the reaction.
auto	equation () const -> const ReactionEquation &
	Return the equation of the mineral reaction as a string. More...
auto	equilibriumConstant () const -> const ThermoScalarFunction &
	Return the equilibrium constant of the mineral reaction.
auto	specificSurfaceArea () const -> double
	Return the specific surface area of the mineral (in units of m2/kg).
auto	volumetricSurfaceArea () const -> double
	Return the volumetric surface area of the mineral (in units of m2/m3).
auto	surfaceArea () const -> double
	Return the specified surface area of the mineral (in units of m2).
auto	mechanisms () const -> const std::vector< MineralMechanism > &
	Return the mineral mechanisms of the kinetic rate model of the mineral reaction. More...

Member Function Documentation

setEquation() [1/2]

auto setEquation

(

const ReactionEquation &

equation

)

-> MineralReaction&

Set the equation of the mineral reaction.

See also

ReactionEquation

setEquation() [2/2]

auto setEquation

(

std::string

equation

)

-> MineralReaction&

Set the equation of the mineral reaction.

The format of equation can be found in ReactionEquation.

Parameters

equation

The string defining the reaction equation

See also

ReactionEquation

setEquilibriumConstant()

auto setEquilibriumConstant

(

const ThermoScalarFunction &

lnk

)

-> MineralReaction&

Set the equilibrium constant of the mineral reaction (in natural log scale).

If no equilibrium contant is provided, it will be calculated from the standard Gibbs energies of the species in the reaction.

setSpecificSurfaceArea()

auto setSpecificSurfaceArea	(	double	value,
		std::string	unit
	)		-> MineralReaction&

Set the specific surface area of the mineral.

The specific surface area of the mineral can be set using units that are convertible to either m²/g or m²/m³. Whichever unit is used, the specified specific surface area will be automatically converted to a molar surface area with units of m²/mol.

Parameters

value	The value of the specific surface area
unit	The units of the specific surface area (must be convertible to either m2/g or m2/m3)

setSurfaceArea()

auto setSurfaceArea	(	double	value,
		std::string	unit
	)		-> MineralReaction&

Set the surface area of the mineral.

The surface area of the mineral can be set using units that are convertible to m².

Parameters

value	The value of the surface area
unit	The unit of the surface area (must be convertible to m2)

addMechanism() [1/2]

auto addMechanism

(

std::string

mechanism

)

-> MineralReaction&

Adds a mineral mechanism to the kinetic rate model of the mineral reaction.

See also

MineralMechanism

addMechanism() [2/2]

auto addMechanism

(

const MineralMechanism &

mechanism

)

-> MineralReaction&

Adds a mineral mechanism to the kinetic rate model of the mineral reaction.

Parameters

mechanism

The mechanism to be considered in the kinetic rate model

See also

MineralMechanism

setMechanisms()

auto setMechanisms

(

const std::vector< MineralMechanism > &

mechanisms

)

-> MineralReaction&

Set the mineral mechanisms of the kinetic rate model of the mineral reaction.

Parameters

mechanisms

The mechanisms of the kinetic rate model

See also

MineralMechanism

equation()

auto equation

(

)

const -> const ReactionEquation&

Return the equation of the mineral reaction as a string.

See also

ReactionEquation

mechanisms()

auto mechanisms

(

)

const -> const std::vector<MineralMechanism>&

Return the mineral mechanisms of the kinetic rate model of the mineral reaction.

See also

MineralMechanism

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

• Reaktoro/Thermodynamics/Reactions/MineralReaction.hpp
• Reaktoro/Thermodynamics/Reactions/MineralReaction.cpp