Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems
StandardThermoModelHKF.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright © 2014-2024 Allan Leal
4 //
5 // This library is free software; you can redistribute it and/or
6 // modify it under the terms of the GNU Lesser General Public
7 // License as published by the Free Software Foundation; either
8 // version 2.1 of the License, or (at your option) any later version.
9 //
10 // This library 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 GNU
13 // Lesser General Public License for more details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library. If not, see <http://www.gnu.org/licenses/>.
17 
18 #pragma once
19 
20 // Reaktoro includes
21 #include <Reaktoro/Core/StandardThermoModel.hpp>
22 
23 namespace Reaktoro {
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27 {
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63 };
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68 } // namespace Reaktoro
The namespace containing all components of the Reaktoro library.
Definition: Algorithms.hpp:29
auto StandardThermoModelHKF(const StandardThermoModelParamsHKF &params) -> StandardThermoModel
Return a function that calculates thermodynamic properties of an aqueous solute using the HKF model.
autodiff::real real
The number type used throughout the library.
Definition: Real.hpp:26
Model< StandardThermoProps(real T, real P)> StandardThermoModel
The function type for calculation of standard thermodynamic properties of a species.
Definition: StandardThermoModel.hpp:30
The parameters in the HKF model for calculating standard thermodynamic properties of aqueous solutes.
Definition: StandardThermoModelHKF.hpp:27
real Gf
The apparent standard molal Gibbs free energy of formation of the species from its elements (in J/mol...
Definition: StandardThermoModelHKF.hpp:29
real charge
The electrical charge of the aqueous solute.
Definition: StandardThermoModelHKF.hpp:59
real Tmax
The maximum temperature at which the HKF model can be applied for the substance (optional,...
Definition: StandardThermoModelHKF.hpp:62
real a3
The coefficient a3 of the HKF equation of state of the aqueous solute (in (J·K)/(mol·Pa)).
Definition: StandardThermoModelHKF.hpp:44
real Sr
The standard molal entropy of the species at reference temperature and pressure (in J/(mol·K)).
Definition: StandardThermoModelHKF.hpp:35
real a1
The coefficient a1 of the HKF equation of state of the aqueous solute (in J/(mol·Pa)).
Definition: StandardThermoModelHKF.hpp:38
real a2
The coefficient a2 of the HKF equation of state of the aqueous solute (in J/mol).
Definition: StandardThermoModelHKF.hpp:41
real Hf
The apparent standard molal enthalpy of formation of the species from its elements (in J/mol).
Definition: StandardThermoModelHKF.hpp:32
real wref
The conventional Born coefficient of the aqueous solute at reference temperature 298....
Definition: StandardThermoModelHKF.hpp:56
real c1
The coefficient c1 of the HKF equation of state of the aqueous solute (in J/(mol·K)).
Definition: StandardThermoModelHKF.hpp:50
real a4
The coefficient a4 of the HKF equation of state of the aqueous solute (in (J·K)/mol).
Definition: StandardThermoModelHKF.hpp:47
real c2
The coefficient c2 of the HKF equation of state of the aqueous solute (in (J·K)/mol).
Definition: StandardThermoModelHKF.hpp:53