Reaktoro 
A unified framework for modeling chemically reactive systems
PhaseThermoProperties.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/ChemicalVector.hpp>
25 #include <Reaktoro/Common/ThermoVector.hpp>
26 
27 namespace Reaktoro {
28 
29 // Forward declarations
30 class Phase;
31 
34 {
35 public:
38 
40  explicit PhaseThermoProperties(const Phase& phase);
41 
44 
46  virtual ~PhaseThermoProperties();
47 
50 
54  auto update(double T, double P) -> void;
55 
57  auto temperature() const -> double;
58 
60  auto pressure() const -> double;
61 
64 
67 
70 
73 
76 
79 
82 
85 
86 private:
87  struct Impl;
88 
89  std::unique_ptr<Impl> pimpl;
90 };
91 
92 } // namespace Reaktoro
A type used to define a phase and its attributes.
Definition: Phase.hpp:45
ThermoVectorBase< Vector, Vector, Vector > ThermoVector
A type that defines a vector thermo property.
Definition: ScalarTypes.hpp:41
auto operator=(PhaseThermoProperties other) -> PhaseThermoProperties &
Construct a copy of a PhaseThermoProperties instance.
Definition: PhaseThermoProperties.cpp:135
auto standardPartialMolarEntropies() const -> ThermoVector
Return the standard partial molar entropies of the species (in units of J/(mol*K)).
Definition: PhaseThermoProperties.cpp:171
auto standardPartialMolarEnthalpies() const -> ThermoVector
Return the standard partial molar enthalpies of the species (in units of J/mol).
Definition: PhaseThermoProperties.cpp:161
auto standardPartialMolarInternalEnergies() const -> ThermoVector
Return the standard partial molar internal energies of the species (in units of J/mol).
Definition: PhaseThermoProperties.cpp:176
auto pressure() const -> double
Return the pressure of the phase (in units of Pa).
Definition: PhaseThermoProperties.cpp:151
auto standardPartialMolarGibbsEnergies() const -> ThermoVector
Return the standard partial molar Gibbs energies of the species (in units of J/mol).
Definition: PhaseThermoProperties.cpp:156
Defines a class for querying thermodynamic and chemical properties of a phase.
Definition: PhaseThermoProperties.hpp:33
auto temperature() const -> double
Return the temperature of the phase (in units of K).
Definition: PhaseThermoProperties.cpp:146
auto standardPartialMolarHeatCapacitiesConstP() const -> ThermoVector
Return the standard partial molar isobaric heat capacities of the species (in units of J/(mol*K))...
Definition: PhaseThermoProperties.cpp:186
virtual ~PhaseThermoProperties()
Destroy this instance.
Definition: PhaseThermoProperties.cpp:132
auto standardPartialMolarHeatCapacitiesConstV() const -> ThermoVector
Return the standard partial molar isochoric heat capacities of the species (in units of J/(mol*K))...
Definition: PhaseThermoProperties.cpp:191
PhaseThermoProperties()
Construct a default PhaseThermoProperties instance.
Definition: PhaseThermoProperties.cpp:120
auto standardPartialMolarVolumes() const -> ThermoVector
Return the standard partial molar volumes of the species (in units of m3/mol).
Definition: PhaseThermoProperties.cpp:166
auto update(double T, double P) -> void
Update the thermodynamic properties of the phase.
Definition: PhaseThermoProperties.cpp:141
The namespace containing all components of the Reaktoro library.
Definition: ChemicalScalar.hpp:24
auto standardPartialMolarHelmholtzEnergies() const -> ThermoVector
Return the standard partial molar Helmholtz energies of the species (in units of J/mol).
Definition: PhaseThermoProperties.cpp:181