Cantera 2.6.0

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 //! Index of the phase that this species belongs to.
39 size_t IndexPhase;
40
41 //! Index of this species in the current phase.
42 size_t IndexSpeciesPhase;
43
44 //! Pointer to the owning phase object.
45 vcs_VolPhase* OwningPhase;
46
47 //! Integer representing the models for the species standard state Naught
48 //! temperature dependence. They are listed above and start with VCS_SS0_...
49 int SS0_Model;
50
51 //! Internal storage of the last calculation of the reference naught Gibbs
52 //! free energy at SS0_TSave. (always in units of Kelvin)
53 double SS0_feSave;
54
55 //! Internal storage of the last temperature used in the calculation of the
56 //! reference naught Gibbs free energy. units = kelvin
57 double SS0_TSave;
58
59 //! Base temperature used in the VCS_SS0_CONSTANT_CP model
60 double SS0_T0;
61
62 //! Base enthalpy used in the VCS_SS0_CONSTANT_CP model
63 double SS0_H0;
64
65 //! Base entropy used in the VCS_SS0_CONSTANT_CP model
66 double SS0_S0;
67
68 //! Base heat capacity used in the VCS_SS0_CONSTANT_CP model
69 double SS0_Cp0;
70
71 //! Value of the pressure for the reference state.
72 //! defaults to 1.01325E5 = 1 atm
73 double SS0_Pref;
74
75 //! Integer value representing the star state model.
76 int SSStar_Model;
77
78 //! Models for the standard state volume of each species
79 int SSStar_Vol_Model;
80
81 //! parameter that is used in the VCS_SSVOL_CONSTANT model.
82 double SSStar_Vol0;
83
84 VCS_SPECIES_THERMO()
85 : IndexPhase(0)
86 , IndexSpeciesPhase(0)
87 , OwningPhase(0)
88 , SS0_Model(VCS_SS0_CONSTANT)
89 , SS0_feSave(0.0)
90 , SS0_TSave(-90.0)
91 , SS0_T0(273.15)
92 , SS0_H0(0.0)
93 , SS0_S0(0.0)
94 , SS0_Cp0(0.0)
95 , SS0_Pref(1.01325E5)
96 , SSStar_Model(VCS_SSSTAR_CONSTANT)
97 , SSStar_Vol_Model(VCS_SSVOL_IDEALGAS)
98 , SSStar_Vol0(-1.0)
99 {
100 }
101};
102
103}
104
105#endif
Cantera::VCS_SPECIES_THERMO
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:42
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:79
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:69
Cantera::VCS_SPECIES_THERMO::SSStar_Vol0
double SSStar_Vol0
parameter that is used in the VCS_SSVOL_CONSTANT model.
Definition: vcs_species_thermo.h:82
Cantera::VCS_SPECIES_THERMO::SS0_H0
double SS0_H0
Base enthalpy used in the VCS_SS0_CONSTANT_CP model.
Definition: vcs_species_thermo.h:63
Cantera::VCS_SPECIES_THERMO::SS0_T0
double SS0_T0
Base temperature used in the VCS_SS0_CONSTANT_CP model.
Definition: vcs_species_thermo.h:60
Cantera::VCS_SPECIES_THERMO::SS0_Pref
double SS0_Pref
Value of the pressure for the reference state.
Definition: vcs_species_thermo.h:73
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:57
Cantera::VCS_SPECIES_THERMO::SSStar_Model
int SSStar_Model
Integer value representing the star state model.
Definition: vcs_species_thermo.h:76
Cantera::VCS_SPECIES_THERMO::SS0_S0
double SS0_S0
Base entropy used in the VCS_SS0_CONSTANT_CP model.
Definition: vcs_species_thermo.h:66
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:49
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:53
Cantera::VCS_SPECIES_THERMO::IndexPhase
size_t IndexPhase
Index of the phase that this species belongs to.
Definition: vcs_species_thermo.h:39
Cantera::VCS_SPECIES_THERMO::OwningPhase
vcs_VolPhase * OwningPhase
Pointer to the owning phase object.
Definition: vcs_species_thermo.h:45
Cantera::vcs_VolPhase
Phase information and Phase calculations for vcs.
Definition: vcs_VolPhase.h:78
Cantera
Namespace for the Cantera kernel.
Definition: AnyMap.cpp:557
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