Reaktoro 
A unified framework for modeling chemically reactive systems
PhaseThermoModel.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 // C++ includes
21 #include <functional>
22 
23 // Reaktoro includes
24 #include <Reaktoro/Common/ThermoVector.hpp>
25 
26 namespace Reaktoro {
27 
30 {
33 
35  explicit PhaseThermoModelResult(unsigned nspecies);
36 
38  auto resize(unsigned nspecies) -> void;
39 
41  unsigned num_species = 0;
42 
45 
48 
51 
54 
57 };
58 
60 using PhaseThermoModel = std::function<PhaseThermoModelResult(double, double)>;
61 
62 } // namespace Reaktoro
std::function< PhaseThermoModelResult(double, double)> PhaseThermoModel
The signature of the thermodynamic model function that calculates the standard thermodynamic properti...
Definition: PhaseThermoModel.hpp:60
ThermoVector standard_partial_molar_gibbs_energies
The standard partial molar Gibbs energies of the species (in units of J/mol).
Definition: PhaseThermoModel.hpp:44
unsigned num_species
The number of species in the phase.
Definition: PhaseThermoModel.hpp:41
The result of the thermodynamic model function that calculates the standard thermodynamic properties ...
Definition: PhaseThermoModel.hpp:29
ThermoVector standard_partial_molar_enthalpies
The standard partial molar enthalpies of the species (in units of J/mol).
Definition: PhaseThermoModel.hpp:47
auto resize(unsigned nspecies) -> void
Resize this PhaseThermoModelResult with a given number of species.
Definition: PhaseThermoModel.cpp:34
PhaseThermoModelResult()
Construct a default PhaseThermoModelResult instance.
Definition: PhaseThermoModel.cpp:22
ThermoVector standard_partial_molar_heat_capacities_cv
The standard partial molar isochoric heat capacities of the species (in units of J/(mol*K)).
Definition: PhaseThermoModel.hpp:56
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
ThermoVector standard_partial_molar_heat_capacities_cp
The standard partial molar isobaric heat capacities of the species (in units of J/(mol*K)).
Definition: PhaseThermoModel.hpp:53
ThermoVector standard_partial_molar_volumes
The standard partial molar volumes of the species (in units of m3/mol).
Definition: PhaseThermoModel.hpp:50