Reaktoro 
A unified framework for modeling chemically reactive systems
SpeciesThermoStateHKF.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/ScalarTypes.hpp>
22 
23 namespace Reaktoro {
24 
25 // Forward declarations
26 class AqueousSpecies;
27 class GaseousSpecies;
28 class MineralSpecies;
29 struct SpeciesElectroState;
30 struct SpeciesThermoState;
31 struct WaterElectroState;
32 struct WaterThermoState;
33 
35 auto speciesThermoStateSolventHKF(Temperature T, Pressure P, const WaterThermoState& wts) -> SpeciesThermoState;
36 
38 auto speciesThermoStateSoluteHKF(Temperature T, Pressure P, const AqueousSpecies& species, const SpeciesElectroState& aes, const WaterElectroState& wes) -> SpeciesThermoState;
39 
41 auto speciesThermoStateHKF(Temperature T, Pressure P, const AqueousSpecies& species) -> SpeciesThermoState;
42 
44 auto speciesThermoStateHKF(Temperature T, Pressure P, const GaseousSpecies& species) -> SpeciesThermoState;
45 
47 auto speciesThermoStateHKF(Temperature T, Pressure P, const MineralSpecies& species) -> SpeciesThermoState;
48 
49 } // namespace Reaktoro
auto speciesThermoStateSoluteHKF(Temperature T, Pressure P, const AqueousSpecies &species, const SpeciesElectroState &aes, const WaterElectroState &wes) -> SpeciesThermoState
Calculate the thermodynamic state of an aqueous solute using the HKF model.
Definition: SpeciesThermoStateHKF.cpp:160
auto speciesThermoStateSolventHKF(Temperature T, Pressure P, const WaterThermoState &wt) -> SpeciesThermoState
Calculate the thermodynamic state of solvent water using the HKF model.
Definition: SpeciesThermoStateHKF.cpp:123
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
auto speciesThermoStateHKF(Temperature T, Pressure P, const AqueousSpecies &species) -> SpeciesThermoState
Calculate the thermodynamic state of an aqueous species using the HKF model.
Definition: SpeciesThermoStateHKF.cpp:241