Cantera  2.3.0
vcs_SpeciesProperties.h
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1 //! @file vcs_SpeciesProperties.h
2 
3 // This file is part of Cantera. See License.txt in the top-level directory or
4 // at http://www.cantera.org/license.txt for license and copyright information.
5 
6 #ifndef VCS_SPECIES_PROPERTIES_H
7 #define VCS_SPECIES_PROPERTIES_H
8 
9 #include "cantera/base/ct_defs.h"
10 
11 namespace Cantera
12 {
13 
14 class VCS_SPECIES_THERMO;
15 class vcs_VolPhase;
16 
17 //! Properties of a single species.
19 {
20 public:
21  size_t IndexPhase;
22  size_t IndexSpeciesPhase;
23  vcs_VolPhase* OwningPhase;
24  size_t NumElements;
25 
26  //! Name of the species
27  std::string SpName;
28 
29  //! Pointer to the thermo structure for this species
31 
32  //! Molecular Weight of the species (gm/mol)
33  double WtSpecies;
34 
35  //! Column of the formula matrix, comprising the
36  //! element composition of the species
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;
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;
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
58 
59  vcs_SpeciesProperties(size_t indexPhase, size_t indexSpeciesPhase,
60  vcs_VolPhase* owning);
61  virtual ~vcs_SpeciesProperties() {}
62 };
63 
64 }
65 
66 #endif
vector_fp FormulaMatrixCol
Column of the formula matrix, comprising the element composition of the species.
VCS_SPECIES_THERMO * SpeciesThermo
Pointer to the thermo structure for this species.
This file contains definitions of terms that are used in internal routines and are unlikely to need m...
double WtSpecies
Molecular Weight of the species (gm/mol)
std::string SpName
Name of the species.
Properties of a single species.
Phase information and Phase calculations for vcs.
Definition: vcs_VolPhase.h:81
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
Definition: ct_defs.h:157
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.
double Charge
Charge state of the species -> This may be duplication of what&#39;s in the FormulaMatrixCol entries...
Namespace for the Cantera kernel.
Definition: application.cpp:29