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.

See also
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
speciesThe species that compose the mineral mixture
Reaktoro::MineralMixture::MineralMixture ( const MineralSpecies species)
explicit

Construct a MineralMixture instance with a single species.

Parameters
speciesThe 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
TThe temperature (in units of K)
PThe pressure (in units of Pa)
nThe 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