AqueousPhase.hpp
51 auto setInterpolationPoints(const std::vector<double>& temperatures, const std::vector<double>& pressures) -> AqueousPhase&;
76 auto setActivityModel(std::string species, const AqueousActivityModel& activity) -> AqueousPhase&;
auto setActivityModel(std::string species, const AqueousActivityModel &activity) -> AqueousPhase &
Set the activity model of a species.
Definition: AqueousPhase.cpp:162
auto setActivityModelDuanSunCO2() -> AqueousPhase &
Set the activity model of CO2(aq) to be the one of Duan and Sun (2003).
Definition: AqueousPhase.cpp:189
std::function< ChemicalScalar(const AqueousMixtureState &)> AqueousActivityModel
The signature of a function that calculates the ln activity coefficient of a neutral aqueous species.
Definition: AqueousActivityModel.hpp:34
auto setActivityModelDrummondCO2() -> AqueousPhase &
Set the activity model of CO2(aq) to be the one of Drummond (1981).
Definition: AqueousPhase.cpp:198
auto setActivityModelRumpfCO2() -> AqueousPhase &
Set the activity model of CO2(aq) to be the one of Rumpf et al. (1994).
Definition: AqueousPhase.cpp:207
auto setInterpolationPoints(const std::vector< double > &temperatures, const std::vector< double > &pressures) -> AqueousPhase &
Set the temperature and pressure interpolation points for calculation of water density and water diel...
Definition: AqueousPhase.cpp:119
AqueousPhase()
Construct a default AqueousPhase instance.
Definition: AqueousPhase.cpp:96
auto setChemicalModelIdeal() -> AqueousPhase &
Set the chemical model of the phase with the ideal aqueous solution equation of state.
Definition: AqueousPhase.cpp:125
A class used to define the parameters in the Debye–Hückel activity model for aqueous mixtures.
Definition: AqueousChemicalModelDebyeHuckel.hpp:114
auto setChemicalModelPitzerHMW() -> AqueousPhase &
Set the chemical model of the phase with the Pitzer equation of state.
Definition: AqueousPhase.cpp:154
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
A type used to describe an aqueous mixture.
Definition: AqueousMixture.hpp:60
auto setActivityModelIdeal(std::string species) -> AqueousPhase &
Set the activity model of the species to be the ideal one.
Definition: AqueousPhase.cpp:171
auto setChemicalModelDebyeHuckel() -> AqueousPhase &
Set the chemical model of the phase with the Debye-Huckel equation of state.
Definition: AqueousPhase.cpp:133
auto setChemicalModelHKF() -> AqueousPhase &
}
Definition: AqueousPhase.cpp:146
auto mixture() const -> const AqueousMixture &
Return the AqueousMixture instance.
Definition: AqueousPhase.cpp:216
auto setActivityModelSetschenow(std::string species, double b) -> AqueousPhase &
Set the activity model of the species to be the Setschenow one.
Definition: AqueousPhase.cpp:180
auto species() const -> const std::vector< Species > &
Return the species of the phase.
Definition: Phase.cpp:134