Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems
StandardThermoModelMineralHKF.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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66 };
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71 } // namespace Reaktoro
The namespace containing all components of the Reaktoro library.
Definition: Algorithms.hpp:29
std::vector< T > Vec
Convenient alias for std::vector<T>.
Definition: Types.hpp:66
std::size_t Index
Define a type that represents an index.
Definition: Index.hpp:26
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
auto StandardThermoModelMineralHKF(const StandardThermoModelParamsMineralHKF &params) -> StandardThermoModel
Return a function that calculates thermodynamic properties of a species using the Maier-Kelley-HKF mo...
The parameters in the Maier-Kelley-HKF model for calculating standard thermodynamic properties of min...
Definition: StandardThermoModelMineralHKF.hpp:27
Vec< real > dPdTtr
The Clapeyron slote at each mineral phase transition (in Pa/K).
Definition: StandardThermoModelMineralHKF.hpp:62
Vec< real > a
The coefficients a(i) of the Maier-Kelley-HKF mineral thermodynamic model for each phase region (in J...
Definition: StandardThermoModelMineralHKF.hpp:44
real Gf
The apparent standard Gibbs free energy of formation of the mineral substance from its elements (in J...
Definition: StandardThermoModelMineralHKF.hpp:29
Vec< real > b
The coefficients b(i) of the Maier-Kelley-HKF mineral thermodynamic model for each phase region (in J...
Definition: StandardThermoModelMineralHKF.hpp:47
real Tmax
The maximum temperature at which the Maier-Kelley-HKF model can be applied for the substance (optiona...
Definition: StandardThermoModelMineralHKF.hpp:65
Vec< real > Htr
The change in the standard enthalpy of each mineral phase transition (in J/mol).
Definition: StandardThermoModelMineralHKF.hpp:56
real Sr
The standard entropy of the mineral substance at reference temperature and pressure (in J/(mol·K)).
Definition: StandardThermoModelMineralHKF.hpp:35
Vec< real > Ttr
The temperatures at which the mineral experiences phase transition along the line of reference pressu...
Definition: StandardThermoModelMineralHKF.hpp:53
Vec< real > c
The coefficients c(i) of the Maier-Kelley-HKF mineral thermodynamic model for each phase region (in (...
Definition: StandardThermoModelMineralHKF.hpp:50
real Hf
The apparent standard enthalpy of formation of the mineral substance from its elements (in J/mol).
Definition: StandardThermoModelMineralHKF.hpp:32
real Vr
The standard volume of the mineral substance at reference temperature and pressure (in m³/mol).
Definition: StandardThermoModelMineralHKF.hpp:38
Vec< real > Vtr
The change in the standard volume of each mineral phase transition (in m³/mol).
Definition: StandardThermoModelMineralHKF.hpp:59
Index ntr
The number of phase transitions considered in the mineral.
Definition: StandardThermoModelMineralHKF.hpp:41