Cantera  3.1.0a1
Loading...
Searching...
No Matches
vcs_SpeciesProperties.h
Go to the documentation of this file.
1//! @file vcs_SpeciesProperties.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_PROPERTIES_H
7#define VCS_SPECIES_PROPERTIES_H
8
10
11namespace Cantera
12{
13
14class VCS_SPECIES_THERMO;
15class vcs_VolPhase;
16
17//! Properties of a single species.
19{
20public:
21 size_t IndexPhase;
22 size_t IndexSpeciesPhase;
23 vcs_VolPhase* OwningPhase;
24 size_t NumElements;
25
26 //! Name of the species
27 string SpName;
28
29 //! Pointer to the thermo structure for this species
31
32 //! Molecular Weight of the species (gm/mol)
33 double WtSpecies = 0.0;
34
35 //! Column of the formula matrix, comprising the
36 //! element composition of the species
37 vector<double> FormulaMatrixCol;
38
39 //! Charge state of the species -> This may be duplication of what's in the
40 //! FormulaMatrixCol entries. However, it's prudent to separate it out.
41 double Charge = 0.0;
42
43 //! True if this species belongs to a surface phase
45
46 /*
47 * Various Calculated Quantities that are appropriate to keep copies of at
48 * this level.
49 */
50
51 //! Partial molar volume of the species
52 double VolPM = 0.0;
53
54 //! Representative value of the mole fraction of this species in a phase.
55 //! This value is used for convergence issues and for calculation of
56 //! numerical derivatives
57 double ReferenceMoleFraction = 1e-6;
58
59 vcs_SpeciesProperties(size_t indexPhase, size_t indexSpeciesPhase,
60 vcs_VolPhase* owning)
61 : IndexPhase(indexPhase)
62 , IndexSpeciesPhase(indexSpeciesPhase)
63 , OwningPhase(owning)
64 {
65 }
66
67 virtual ~vcs_SpeciesProperties() = default;
68};
69
70}
71
72#endif
Identifies the thermo model for the species.
Properties of a single species.
double VolPM
Partial molar volume of the species.
double ReferenceMoleFraction
Representative value of the mole fraction of this species in a phase.
int SurfaceSpecies
True if this species belongs to a surface phase.
string SpName
Name of the species.
double WtSpecies
Molecular Weight of the species (gm/mol)
VCS_SPECIES_THERMO * SpeciesThermo
Pointer to the thermo structure for this species.
vector< double > FormulaMatrixCol
Column of the formula matrix, comprising the element composition of the species.
double Charge
Charge state of the species -> This may be duplication of what's in the FormulaMatrixCol entries.
Phase information and Phase calculations for vcs.
This file contains definitions of constants, types and terms that are used in internal routines and a...
Namespace for the Cantera kernel.
Definition AnyMap.cpp:564