Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems
StandardThermoModelInterpolation.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/Common/Types.hpp>
22 #include <Reaktoro/Core/StandardThermoModel.hpp>
23 
24 namespace Reaktoro {
25 
28 {
31 
34 
37 
40 
43 
46 
49 
52 
54  double Pref = 1e5;
55 };
56 
59 
60 } // 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
auto StandardThermoModelInterpolation(const StandardThermoModelParamsInterpolation &params) -> StandardThermoModel
Return a function that calculates thermodynamic properties of a species using the Maier-Kelley model.
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 Maier-Kelley model for calculating standard thermodynamic properties of fluid a...
Definition: StandardThermoModelInterpolation.hpp:28
Vec< Vec< double > > Cp0
The standard molar isobaric heat capacities of the species (in J/(mol·K)).
Definition: StandardThermoModelInterpolation.hpp:51
Vec< double > temperatures
The temperatures at which known thermodynamic data is known (in K).
Definition: StandardThermoModelInterpolation.hpp:30
Vec< double > pressures
The pressures at which known thermodynamic data is known (in Pa).
Definition: StandardThermoModelInterpolation.hpp:33
Vec< Vec< double > > V0
The standard molar volumes of the species (in m³/mol).
Definition: StandardThermoModelInterpolation.hpp:42
Vec< Vec< double > > VT0
The temperature derivative of the standard molar volumes of the species (in m³/(mol·K)).
Definition: StandardThermoModelInterpolation.hpp:45
Vec< Vec< double > > VP0
The pressure derivative of the standard molar volumes of the species (in m³/(mol·K)).
Definition: StandardThermoModelInterpolation.hpp:48
double Pref
The reference pressure used for volume correction of (in Pa).
Definition: StandardThermoModelInterpolation.hpp:54
Vec< Vec< double > > H0
The standard molar enthalpies of formation of the species (in J/mol).
Definition: StandardThermoModelInterpolation.hpp:39
Vec< Vec< double > > G0
The standard molar Gibbs energies of formation of the species (in J/mol).
Definition: StandardThermoModelInterpolation.hpp:36