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mix_defs.h
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1 //! @file mix_defs.h
2 #ifndef CT_MIX_DEFS_H
3 #define CT_MIX_DEFS_H
4 
5 namespace Cantera
6 {
7 
8 /**
9  * This generic id is used as the default in virtual base
10  * classes that employ id's. It is used to indicate the lack
11  * of an inherited class that would define the id.
12  */
13 const int cNone = 0;
14 
15 // species thermo types
16 const int cNASA = 1;
17 const int cShomate = 2;
18 const int cNASA96 = 3;
19 const int cHarmonicOsc = 4;
20 
21 /**
22  * Equation of state types:
23  *
24  * These types are used in the member function eosType() of
25  * the virtual base class ThermoPhase. They are used to
26  * distinguish different types of equation of states. Also, they
27  * may be used for upcasting from the ThermoPhase class. Their
28  * id's should be distinct.
29  *
30  * Users who wish to define their own equation of states which
31  * derive from ThermoPhase should define a unique id which
32  * doesn't conflict with those listed below. The Cantera Kernel
33  * however, will not be know about the class and will therefore
34  * not be able to initialize the class within its "factory"
35  * routines.
36  */
37 const int cIdealGas = 1; // IdealGasPhase in IdealGasPhase.h
38 const int cIncompressible = 2; // ConstDensityThermo in ConstDensityThermo.h
39 /// A surface phase. Used by class SurfPhase.
40 const int cSurf = 3;
41 
42 /// A metal phase.
43 const int cMetal = 4; // MetalPhase in MetalPhase.h
44 // const int cSolidCompound = 5; // SolidCompound in SolidCompound.h
45 const int cStoichSubstance = 5; // StoichSubstance.h
46 const int cSemiconductor = 7;
47 
48 const int cMineralEQ3 = 8; // MineralEQ3 in MineralEQ3.h
49 const int cMetalSHEelectrons = 9; // SHE electrode electrons
50 
51 const int cLatticeSolid = 20; // LatticeSolidPhase.h
52 const int cLattice = 21; //LatticePhase.h
53 
54 // pure fluids with liquid/vapor eqs of state
55 const int cPureFluid = 10;
56 
57 /// An edge between two 2D surfaces
58 const int cEdge = 6;
59 
60 //! Stoichiometric compound with a constant chemical potential
61 const int cFixedChemPot = 70;
62 
63 /// Constant partial molar volume solution IdealSolidSolnPhase.h
64 const int cIdealSolidSolnPhase = 5009;
65 
66 const int cMaskellSolidSolnPhase = 5010;
67 
68 //! HMW - Strong electrolyte using the Pitzer formulation
69 const int cHMW = 40;
70 
71 //! DebyeHuckel - Weak electrolyte using various Debye-Huckel formulations
72 const int cDebyeHuckel = 50;
73 
74 //! IdealMolalSoln - molality based solution with molality-based act coeffs of 1
75 const int cIdealMolalSoln = 60;
76 
77 const int cIdealSolnGasVPSS = 500;
78 const int cIdealSolnGasVPSS_iscv = 501;
79 
80 //! Fugacity Models
81 const int cMixtureFugacityTP = 700;
82 const int cRedlichKwongMFTP = 701;
83 
84 const int cMargulesVPSSTP = 301;
85 
86 const int cRedlichKisterVPSSTP = 303;
87 
88 const int cMolarityIonicVPSSTP = 401;
89 const int cMixedSolventElectrolyte = 402;
90 
91 const int cPhaseCombo_Interaction = 305;
92 
93 const int cIonsFromNeutral = 2000;
94 
95 //! Variable Pressure Standard State ThermoPhase objects
96 const int cVPSS_IdealGas = 1001;
97 const int cVPSS_ConstVol = 1002;
98 const int cVPSS_PureFluid = 1010;
99 const int cVPSS_HMW = 1040;
100 const int cVPSS_DebyeHuckel = 1050;
101 const int cVPSS_MolalSoln = 1060;
102 
103 //! Types of general formulations for the specification of the standard state volume
105  //! This approximation is for a constant volume
107  //! This approximation is for a species with a quadratic polynomial in temperature
108  /*!
109  * V^ss_i = ai + bi T + ci T2
110  */
112  //! This approximation is for a species where the density is expressed as a
113  //! quadratic polynomial in temperature
114  /*!
115  * V^ss_i = M_i / (ai + bi T + ci T2)
116  */
118 };
119 
120 //! Types of PDSS's
122  cPDSS_UNDEF = 100,
123  cPDSS_IDEALGAS,
124  cPDSS_CONSTVOL,
125  cPDSS_SSVOL,
126  cPDSS_MOLAL_CONSTVOL,
127  cPDSS_WATER,
128  cPDSS_MOLAL_HKFT,
129  cPDSS_IONSFROMNEUTRAL
130 };
131 
132 
133 //! enum for VPSSMgr types that are responsible for calculating the species
134 //! standard state and reference-state thermodynamic properties.
136  cVPSSMGR_UNDEF = 1000,
137  //! Variable pressures SS calculator for ideal gas phases
139  //! Variable pressure SS calculate for phases consisting all species having
140  //! a constant molar volume property. This fits most solids.
142  cVPSSMGR_PUREFLUID,
143  //! Variable pressure SS calculate for phases consisting of real water
144  //! as the first species and species having a constant molar volume property
146  //! Variable pressure SS calculate for phases consisting of real water
147  //! as the first species and species obeying the HKFT standard state
149  //! Variable pressure SS calculate for phases consisting of completing
150  //! general representations
152 };
153 
154 
155 // kinetic manager types
156 const int cGasKinetics = 2;
157 const int cInterfaceKinetics = 4;
158 const int cLineKinetics = 5;
159 const int cEdgeKinetics = 6;
160 const int cSolidKinetics = 7;
161 const int cAqueousKinetics = 8;
162 }
163 
164 #endif
165 
Variable pressure SS calculate for phases consisting of real water as the first species and species o...
Definition: mix_defs.h:148
Variable pressure SS calculate for phases consisting of completing general representations.
Definition: mix_defs.h:151
Variable pressure SS calculate for phases consisting of real water as the first species and species h...
Definition: mix_defs.h:145
This approximation is for a constant volume.
Definition: mix_defs.h:106
VPSSMgr_enumType
enum for VPSSMgr types that are responsible for calculating the species standard state and reference-...
Definition: mix_defs.h:135
const int cSurf
A surface phase. Used by class SurfPhase.
Definition: mix_defs.h:40
const int cFixedChemPot
Stoichiometric compound with a constant chemical potential.
Definition: mix_defs.h:61
SSVolume_Model_enumType
Types of general formulations for the specification of the standard state volume. ...
Definition: mix_defs.h:104
const int cMixtureFugacityTP
Fugacity Models.
Definition: mix_defs.h:81
PDSS_enumType
Types of PDSS's.
Definition: mix_defs.h:121
Variable pressure SS calculate for phases consisting all species having a constant molar volume prope...
Definition: mix_defs.h:141
This approximation is for a species with a quadratic polynomial in temperature.
Definition: mix_defs.h:111
const int cMetal
A metal phase.
Definition: mix_defs.h:43
const int cVPSS_IdealGas
Variable Pressure Standard State ThermoPhase objects.
Definition: mix_defs.h:96
const int cEdge
An edge between two 2D surfaces.
Definition: mix_defs.h:58
const int cIdealMolalSoln
IdealMolalSoln - molality based solution with molality-based act coeffs of 1.
Definition: mix_defs.h:75
Variable pressures SS calculator for ideal gas phases.
Definition: mix_defs.h:138
const int cHMW
HMW - Strong electrolyte using the Pitzer formulation.
Definition: mix_defs.h:69
const int cDebyeHuckel
DebyeHuckel - Weak electrolyte using various Debye-Huckel formulations.
Definition: mix_defs.h:72
This approximation is for a species where the density is expressed as a quadratic polynomial in tempe...
Definition: mix_defs.h:117
const int cIdealGas
Equation of state types:
Definition: mix_defs.h:37
const int cNone
This generic id is used as the default in virtual base classes that employ id's.
Definition: mix_defs.h:13
const int cIdealSolidSolnPhase
Constant partial molar volume solution IdealSolidSolnPhase.h.
Definition: mix_defs.h:64