Reaktoro 
A unified framework for modeling chemically reactive systems
ThermoProperties.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 <memory>
22 
23 // Reaktoro includes
24 #include <Reaktoro/Common/ThermoVector.hpp>
25 
26 namespace Reaktoro {
27 
28 // Forward declarations
29 class ChemicalSystem;
30 
33 {
34 public:
37 
39  ThermoProperties(const ChemicalSystem& system);
40 
42  ThermoProperties(const ThermoProperties& other);
43 
45  virtual ~ThermoProperties();
46 
49 
53  auto update(double T, double P) -> void;
54 
56  auto temperature() const -> double;
57 
59  auto pressure() const -> double;
60 
63 
66 
69 
72 
75 
78 
81 
84 
85 private:
86  struct Impl;
87 
88  std::unique_ptr<Impl> pimpl;
89 };
90 
91 } // namespace Reaktoro
auto standardPartialMolarEntropies() const -> ThermoVector
Return the standard partial molar entropies of the species (in units of J/(mol*K)).
Definition: ThermoProperties.cpp:219
ThermoVectorBase< Vector, Vector, Vector > ThermoVector
A type that defines a vector thermo property.
Definition: ScalarTypes.hpp:41
auto standardPartialMolarInternalEnergies() const -> ThermoVector
Return the standard partial molar internal energies of the species (in units of J/mol).
Definition: ThermoProperties.cpp:224
A class to represent a system and its attributes and properties.
Definition: ChemicalSystem.hpp:47
auto standardPartialMolarHeatCapacitiesConstV() const -> ThermoVector
Return the standard partial molar isochoric heat capacities of the species (in units of J/(mol*K))...
Definition: ThermoProperties.cpp:239
auto standardPartialMolarEnthalpies() const -> ThermoVector
Return the standard partial molar enthalpies of the species (in units of J/mol).
Definition: ThermoProperties.cpp:209
auto standardPartialMolarVolumes() const -> ThermoVector
Return the standard partial molar volumes of the species (in units of m3/mol).
Definition: ThermoProperties.cpp:214
auto pressure() const -> double
Return the pressure of the phase (in units of Pa).
Definition: ThermoProperties.cpp:199
auto standardPartialMolarHelmholtzEnergies() const -> ThermoVector
Return the standard partial molar Helmholtz energies of the species (in units of J/mol).
Definition: ThermoProperties.cpp:229
auto operator=(ThermoProperties other) -> ThermoProperties &
Construct a copy of a ThermoProperties instance.
Definition: ThermoProperties.cpp:183
auto standardPartialMolarHeatCapacitiesConstP() const -> ThermoVector
Return the standard partial molar isobaric heat capacities of the species (in units of J/(mol*K))...
Definition: ThermoProperties.cpp:234
auto temperature() const -> double
Return the temperature of the phase (in units of K).
Definition: ThermoProperties.cpp:194
ThermoProperties()
Construct a default ThermoProperties instance.
Definition: ThermoProperties.cpp:168
auto standardPartialMolarGibbsEnergies() const -> ThermoVector
Return the standard partial molar Gibbs energies of the species (in units of J/mol).
Definition: ThermoProperties.cpp:204
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
auto update(double T, double P) -> void
Update the thermodynamic properties of the chemical system.
Definition: ThermoProperties.cpp:189
virtual ~ThermoProperties()
Destroy this instance.
Definition: ThermoProperties.cpp:180
A class used for calculating standard thermodynamic properties of species in a chemical system...
Definition: ThermoProperties.hpp:32