SpeciesElectroPropsHKF.hpp
56 auto speciesElectroPropsHKF(const gHKF& gstate, const StandardThermoModelParamsHKF& params) -> SpeciesElectroProps;
The namespace containing all components of the Reaktoro library.
Definition: Algorithms.hpp:29
auto speciesElectroPropsHKF(const gHKF &gstate, const StandardThermoModelParamsHKF ¶ms) -> SpeciesElectroProps
Compute the electrostatic properties of an aqueous solute with given HKF g function state.
autodiff::real real
The number type used throughout the library.
Definition: Real.hpp:26
The electrostatic properties of an aqueous solute species.
Definition: SpeciesElectroProps.hpp:27
The parameters in the HKF model for calculating standard thermodynamic properties of aqueous solutes.
Definition: StandardThermoModelHKF.hpp:27
Used to store thermodynamic properties of water.
Definition: WaterThermoProps.hpp:27
The g function state of in HKF model for computation of electrostatic properties of aqueous solutes.
Definition: SpeciesElectroPropsHKF.hpp:32
real gTT
The second-order partial derivative of function g with respect to temperature.
Definition: SpeciesElectroPropsHKF.hpp:43
real gPP
The second-order partial derivative of function g with respect to pressure.
Definition: SpeciesElectroPropsHKF.hpp:49
static auto compute(real T, real P, const WaterThermoProps &wtp) -> gHKF
Compute the g function state at given temperature, pressure and water thermodynamic properties.
real gTP
The second-order partial derivative of function g with respect to temperature and pressure.
Definition: SpeciesElectroPropsHKF.hpp:46
real gP
The first-order partial derivative of function g with respect to pressure.
Definition: SpeciesElectroPropsHKF.hpp:40
real gT
The first-order partial derivative of function g with respect to temperature.
Definition: SpeciesElectroPropsHKF.hpp:37