Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::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 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 mechanisms () const -> const std::vector< MineralMechanism > &
 Return the mineral mechanisms of the kinetic rate model of the mineral reaction. More...
 

Member Function Documentation

auto Reaktoro::MineralReaction::setEquation ( const ReactionEquation equation) -> MineralReaction&

Set the equation of the mineral reaction.

See also
ReactionEquation
auto Reaktoro::MineralReaction::setEquation ( std::string  equation) -> MineralReaction&

Set the equation of the mineral reaction.

The format of equation can be found in ReactionEquation.

Parameters
equationThe string defining the reaction equation
See also
ReactionEquation
auto Reaktoro::MineralReaction::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.

auto Reaktoro::MineralReaction::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
valueThe value of the specific surface area
unitThe units of the specific surface area (must be convertible to either m2/g or m2/m3)
auto Reaktoro::MineralReaction::addMechanism ( std::string  mechanism) -> MineralReaction&

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

See also
MineralMechanism
auto Reaktoro::MineralReaction::addMechanism ( const MineralMechanism mechanism) -> MineralReaction&

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

Parameters
mechanismThe mechanism to be considered in the kinetic rate model
See also
MineralMechanism
auto Reaktoro::MineralReaction::setMechanisms ( const std::vector< MineralMechanism > &  mechanisms) -> MineralReaction&

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

Parameters
mechanismsThe mechanisms of the kinetic rate model
See also
MineralMechanism
auto Reaktoro::MineralReaction::equation ( ) const -> const ReactionEquation&

Return the equation of the mineral reaction as a string.

See also
ReactionEquation
auto Reaktoro::MineralReaction::mechanisms ( ) const -> const std::vector<MineralMechanism>&

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

See also
MineralMechanism

The documentation for this class was generated from the following files:
  • Reaktoro/Thermodynamics/Reactions/MineralReaction.hpp
  • Reaktoro/Thermodynamics/Reactions/MineralReaction.cpp