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vcs_species_thermo.h
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1//! @file vcs_species_thermo.h
2
3// This file is part of Cantera. See License.txt in the top-level directory or
4// at https://cantera.org/license.txt for license and copyright information.
5
6#ifndef VCS_SPECIES_THERMO_H
7#define VCS_SPECIES_THERMO_H
8
9#include "cantera/equil/vcs_defs.h"
10
11 namespace Cantera
12{
13
14 class vcs_VolPhase;
15
16// Models for the species standard state Naught temperature dependence
17#define VCS_SS0_NOTHANDLED -1
18#define VCS_SS0_CONSTANT 0
19//#define VCS_SS0_NASA_POLY 1
20#define VCS_SS0_CONSTANT_CP 2
21
22// Models for the species standard state extra pressure dependence
23#define VCS_SSSTAR_NOTHANDLED -1
24#define VCS_SSSTAR_CONSTANT 0
25#define VCS_SSSTAR_IDEAL_GAS 1
26
27/**
28 * Identifies the thermo model for the species. This structure is shared by
29 * volumetric and surface species. However, each will have its own types of
30 * thermodynamic models. These quantities all have appropriate units.
31 */
32 class VCS_SPECIES_THERMO
33{
34 /*
35 * All objects are public for ease of development
36 */
37 public:
38 VCS_SPECIES_THERMO() = default;
39
40 //! Index of the phase that this species belongs to.
41 size_t IndexPhase = 0;
42
43 //! Index of this species in the current phase.
44 size_t IndexSpeciesPhase = 0;
45
46 //! Pointer to the owning phase object.
47 vcs_VolPhase* OwningPhase = nullptr;
48
49 //! Integer representing the models for the species standard state Naught
50 //! temperature dependence. They are listed above and start with VCS_SS0_...
51 int SS0_Model = VCS_SS0_CONSTANT;
52
53 //! Internal storage of the last calculation of the reference naught Gibbs
54 //! free energy at SS0_TSave. (always in units of Kelvin)
55 double SS0_feSave = 0.0;
56
57 //! Internal storage of the last temperature used in the calculation of the
58 //! reference naught Gibbs free energy. units = kelvin
59 double SS0_TSave = -90.0;
60
61 //! Base temperature used in the VCS_SS0_CONSTANT_CP model
62 double SS0_T0 = 273.15;
63
64 //! Base enthalpy used in the VCS_SS0_CONSTANT_CP model
65 double SS0_H0 = 0.0;
66
67 //! Base entropy used in the VCS_SS0_CONSTANT_CP model
68 double SS0_S0 = 0.0;
69
70 //! Base heat capacity used in the VCS_SS0_CONSTANT_CP model
71 double SS0_Cp0 = 0.0;
72
73 //! Value of the pressure for the reference state.
74 double SS0_Pref = OneAtm;
75
76 //! Integer value representing the star state model.
77 int SSStar_Model = VCS_SSSTAR_CONSTANT;
78
79 //! Models for the standard state volume of each species
80 int SSStar_Vol_Model = VCS_SSVOL_IDEALGAS;
81
82 //! parameter that is used in the VCS_SSVOL_CONSTANT model.
83 double SSStar_Vol0 = -1;
84};
85
86}
87
88#endif
Cantera::VCS_SPECIES_THERMO
Identifies the thermo model for the species.
Definition vcs_species_thermo.h:33
Cantera::VCS_SPECIES_THERMO::IndexSpeciesPhase
size_t IndexSpeciesPhase
Index of this species in the current phase.
Definition vcs_species_thermo.h:44
Cantera::VCS_SPECIES_THERMO::SSStar_Vol_Model
int SSStar_Vol_Model
Models for the standard state volume of each species.
Definition vcs_species_thermo.h:80
Cantera::VCS_SPECIES_THERMO::SS0_Cp0
double SS0_Cp0
Base heat capacity used in the VCS_SS0_CONSTANT_CP model.
Definition vcs_species_thermo.h:71
Cantera::VCS_SPECIES_THERMO::SSStar_Vol0
double SSStar_Vol0
parameter that is used in the VCS_SSVOL_CONSTANT model.
Definition vcs_species_thermo.h:83
Cantera::VCS_SPECIES_THERMO::SS0_H0
double SS0_H0
Base enthalpy used in the VCS_SS0_CONSTANT_CP model.
Definition vcs_species_thermo.h:65
Cantera::VCS_SPECIES_THERMO::SS0_T0
double SS0_T0
Base temperature used in the VCS_SS0_CONSTANT_CP model.
Definition vcs_species_thermo.h:62
Cantera::VCS_SPECIES_THERMO::SS0_Pref
double SS0_Pref
Value of the pressure for the reference state.
Definition vcs_species_thermo.h:74
Cantera::VCS_SPECIES_THERMO::SS0_TSave
double SS0_TSave
Internal storage of the last temperature used in the calculation of the reference naught Gibbs free e...
Definition vcs_species_thermo.h:59
Cantera::VCS_SPECIES_THERMO::SSStar_Model
int SSStar_Model
Integer value representing the star state model.
Definition vcs_species_thermo.h:77
Cantera::VCS_SPECIES_THERMO::SS0_S0
double SS0_S0
Base entropy used in the VCS_SS0_CONSTANT_CP model.
Definition vcs_species_thermo.h:68
Cantera::VCS_SPECIES_THERMO::SS0_Model
int SS0_Model
Integer representing the models for the species standard state Naught temperature dependence.
Definition vcs_species_thermo.h:51
Cantera::VCS_SPECIES_THERMO::SS0_feSave
double SS0_feSave
Internal storage of the last calculation of the reference naught Gibbs free energy at SS0_TSave.
Definition vcs_species_thermo.h:55
Cantera::VCS_SPECIES_THERMO::IndexPhase
size_t IndexPhase
Index of the phase that this species belongs to.
Definition vcs_species_thermo.h:41
Cantera::VCS_SPECIES_THERMO::OwningPhase
vcs_VolPhase * OwningPhase
Pointer to the owning phase object.
Definition vcs_species_thermo.h:47
Cantera::vcs_VolPhase
Phase information and Phase calculations for vcs.
Definition vcs_VolPhase.h:79
Cantera::OneAtm
const double OneAtm
One atmosphere [Pa].
Definition ct_defs.h:96
Cantera
Namespace for the Cantera kernel.
Definition AnyMap.cpp:564
vcs_defs.h
Defines and definitions within the vcs package.
VCS_SSVOL_IDEALGAS
#define VCS_SSVOL_IDEALGAS
Models for the standard state volume of each species.
Definition vcs_defs.h:29