Reaktoro 
A unified framework for modeling chemically reactive systems
SpeciesElectroStateHKF.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright (C) 2014-2015 Allan Leal
4 //
5 // This program is free software: you can redistribute it and/or modify
6 // it under the terms of the GNU General Public License as published by
7 // the Free Software Foundation, either version 3 of the License, or
8 // (at your option) any later version.
9 //
10 // This program is distributed in the hope that it will be useful,
11 // but WITHOUT ANY WARRANTY; without even the implied warranty of
12 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13 // GNU General Public License for more details.
14 //
15 // You should have received a copy of the GNU General Public License
16 // along with this program. If not, see <http://www.gnu.org/licenses/>.
17 
18 #pragma once
19 
20 // Reaktoro includes
21 #include <Reaktoro/Common/ThermoScalar.hpp>
22 
23 namespace Reaktoro {
24 
25 // Forward declarations
26 class AqueousSpecies;
27 struct SpeciesElectroState;
28 struct WaterThermoState;
29 
31 struct FunctionG
32 {
35 
38 
41 
44 
47 
50 };
51 
53 auto functionG(Temperature T, Pressure P, const WaterThermoState& wts) -> FunctionG;
54 
57 
60 
61 } // namespace Reaktoro
ThermoScalar g
The function g at temperature T and pressure P.
Definition: SpeciesElectroStateHKF.hpp:34
Definition: WaterThermoState.hpp:25
A type to represent an aqueous species.
Definition: AqueousSpecies.hpp:31
auto speciesElectroStateHKF(const FunctionG &g, const AqueousSpecies &species) -> SpeciesElectroState
Calculate the electrostatic state of the aqueous species using the g-function state.
Definition: SpeciesElectroStateHKF.cpp:126
ThermoScalar gP
The first-order partial derivative of function g with respect to pressure.
Definition: SpeciesElectroStateHKF.hpp:40
ThermoScalar gT
The first-order partial derivative of function g with respect to temperature.
Definition: SpeciesElectroStateHKF.hpp:37
ThermoScalar gPP
The second-order partial derivative of function g with respect to pressure.
Definition: SpeciesElectroStateHKF.hpp:49
A type used to describe the function g of the HKF model and its partial temperature and pressure deri...
Definition: SpeciesElectroStateHKF.hpp:31
A type that describes temperature in units of K.
Definition: ThermoScalar.hpp:177
ThermoScalar gTT
The second-order partial derivative of function g with respect to temperature.
Definition: SpeciesElectroStateHKF.hpp:43
Definition: SpeciesElectroState.hpp:25
auto functionG(Temperature T, Pressure P, const WaterThermoState &wts) -> FunctionG
Calculate the function g of the HKF model.
Definition: SpeciesElectroStateHKF.cpp:36
A type that describes pressure in units of Pa.
Definition: ThermoScalar.hpp:194
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
ThermoScalar gTP
The second-order partial derivative of function g with respect to temperature and pressure...
Definition: SpeciesElectroStateHKF.hpp:46