Reaktoro  A unified framework for modeling chemically reactive systems
Reaktoro::MineralMixture Class Reference

## Detailed Description

Provide a computational representation of a mineral mixture.

The MineralMixture class is defined as a collection of MineralSpecies objects, representing, therefore, a mixture of mineral species. Its main purpose is to provide the necessary operations in the calculation of activities of mineral species.

MineralSpecies

#include <MineralMixture.hpp>

Inheritance diagram for Reaktoro::MineralMixture:
Collaboration diagram for Reaktoro::MineralMixture:

## Public Member Functions

MineralMixture ()
Construct a default MineralMixture instance.

MineralMixture (const std::vector< MineralSpecies > &species)
Construct a MineralMixture instance with given species. More...

MineralMixture (const MineralSpecies &species)
Construct a MineralMixture instance with a single species. More...

virtual ~MineralMixture ()
Destroy the MineralMixture instance.

auto state (double T, double P, const Vector &n) const -> MineralMixtureState
Calculate the state of the mineral mixture. More...

Public Member Functions inherited from Reaktoro::GeneralMixture< MineralSpecies >
GeneralMixture ()
Construct a default GeneralMixture instance.

GeneralMixture (const std::vector< MineralSpecies > &species)
Construct a GeneralMixture instance with given species. More...

virtual ~GeneralMixture ()
Destroy the instance.

auto setName (std::string name) -> void
Set the name of the mixture.

auto numSpecies () const -> unsigned
Return the number of species in the mixture.

auto name () const -> std::string
Return the name of the mixture.

auto species () const -> const std::vector< MineralSpecies > &
Return the species that compose the mixture. More...

auto species (const Index &index) const -> const MineralSpecies &
Return a species in the mixture. More...

auto indexSpecies (const std::string &name) const -> Index
Return the index of a species in the mixture. More...

auto indexSpeciesAny (const std::vector< std::string > &names) const -> Index
Return the index of the first species in the mixture with any of the given names. More...

auto namesSpecies () const -> std::vector< std::string >
Return the names of the species in the mixture.

auto chargesSpecies () const -> Vector
Return the charges of the species in the mixture.

auto molarFractions (const Vector &n) const -> ChemicalVector
Calculates the molar fractions of the species and their partial derivatives. More...

auto state (double T, double P, const Vector &n) const -> MixtureState
Calculate the state of the mixture. More...

## Constructor & Destructor Documentation

 Reaktoro::MineralMixture::MineralMixture ( const std::vector< MineralSpecies > & species )
explicit

Construct a MineralMixture instance with given species.

Parameters
 species The species that compose the mineral mixture
 Reaktoro::MineralMixture::MineralMixture ( const MineralSpecies & species )
explicit

Construct a MineralMixture instance with a single species.

Parameters
 species The species that compose the mineral mixture

## Member Function Documentation

 auto Reaktoro::MineralMixture::state ( double T, double P, const Vector & n ) const -> MineralMixtureState

Calculate the state of the mineral mixture.

Parameters
 T The temperature (in units of K) P The pressure (in units of Pa) n The molar amounts of the species in the mixture (in units of mol)

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