Cantera  3.1.0a1
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Sub.h
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1//! @file Sub.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 TPX_SUB_H
7#define TPX_SUB_H
8
10
11namespace tpx
12{
13
14namespace PropertyPair
15{
16enum type {
17 TV = 12, HP = 34, SP = 54, PV = 42, TP = 14, UV = 62, ST = 51,
18 SV = 52, UP = 64, VH = 23, TH = 13, SH = 53, PX = 47, TX = 17,
19 VT = -12, PH = -34, PS = -54, VP = -42, PT = -14, VU = -62, TS = -51,
20 VS = -52, PU = -64, HV = -23, HT = -13, HS = -53, XP = -47, XT = -17
21};
22}
23
24const int Pgiven = 0, Tgiven = 1;
25
26namespace propertyFlag
27{
28enum type { H, S, U, V, P, T };
29}
30
31const double Undef = 999.1234;
32
33/**
34 * Base class from which all pure substances are derived
35 */
37{
38public:
39 Substance() = default;
40
41 virtual ~Substance() = default;
42
43 void setStdState(double h0 = 0.0, double s0 = 0.0,
44 double t0 = 298.15, double p0 = 1.01325e5);
45
46 //! @name Information about a substance
47 //! @{
48
49 //! Molecular weight [kg/kmol]
50 virtual double MolWt()=0;
51
52 //! Critical temperature [K]
53 virtual double Tcrit()=0;
54
55 //! Critical pressure [Pa]
56 virtual double Pcrit()=0;
57
58 //! Critical specific volume [m^3/kg]
59 virtual double Vcrit()=0;
60
61 //! Minimum temperature for which the equation of state is valid
62 virtual double Tmin()=0;
63
64 //! Maximum temperature for which the equation of state is valid
65 virtual double Tmax()=0;
66
67 //! Name of the substance
68 const char* name() {
69 return m_name.c_str();
70 }
71
72 //! Chemical formula for the substance
73 const char* formula() {
74 return m_formula.c_str();
75 }
76
77 //! @}
78
79 //! @name Properties
80 //! @{
81
82 //! Pressure [Pa]. If two phases are present, return the saturation
83 //! pressure; otherwise return the pressure computed directly from the
84 //! underlying eos.
85 double P();
86
87 //! Temperature [K]
88 double Temp() {
89 return T;
90 }
91
92 //! Specific volume [m^3/kg]
93 double v() {
94 return prop(propertyFlag::V);
95 }
96
97 //! Internal energy [J/kg]
98 double u() {
99 return prop(propertyFlag::U);
100 }
101
102 //! Enthalpy [J/kg]
103 double h() {
104 return prop(propertyFlag::H);
105 }
106
107 //! Entropy [J/kg/K]
108 double s() {
109 return prop(propertyFlag::S);
110 }
111
112 //! Helmholtz function [J/kg]
113 double f() {
114 return u() - T*s();
115 }
116
117 //! Gibbs function [J/kg]
118 double g() {
119 return h() - T*s();
120 }
121
122 //! Specific heat at constant volume [J/kg/K]
123 virtual double cv();
124
125 //! Specific heat at constant pressure [J/kg/K]
126 virtual double cp();
127
128 virtual double thermalExpansionCoeff();
129
130 virtual double isothermalCompressibility();
131
132 //! @}
133 //! @name Saturation Properties
134 //! @{
135
136 double Ps();
137
138 //! The derivative of the saturation pressure with respect to temperature.
139 virtual double dPsdT();
140
141 //! Saturation temperature at pressure *p*.
142 double Tsat(double p);
143
144 //! Vapor mass fraction. If T >= Tcrit, 0 is returned for v < Vcrit, and 1
145 //! is returned if v > Vcrit.
146 double x();
147
148 //! Returns 1 if the current state is a liquid/vapor mixture, 0 otherwise.
149 //! By default, saturated vapor and saturated liquid are included; setting
150 //! the flag *strict* to true will exclude the boundaries.
151 int TwoPhase(bool strict=false);
152 //! @}
153
154 virtual double Pp()=0;
155
156 //! Enthalpy of a single-phase state
157 double hp() {
158 return up() + Pp()/Rho;
159 }
160
161 //! Gibbs function of a single-phase state
162 double gp() {
163 return hp() - T*sp();
164 }
165
166 double prop(propertyFlag::type ijob);
167
168 //! set T and P
169 void set_TPp(double t0, double p0);
170
171 //! Function to set or change the state for a property pair *XY* where
172 //! *x0* is the value of first property and *y0* is the value of the
173 //! second property.
174 void Set(PropertyPair::type XY, double x0, double y0);
175
176protected:
177 double T = Undef;
178 double Rho = Undef;
179 double Tslast = Undef;
180 double Rhf = Undef;
181 double Rhv = Undef;
182 double Pst = Undef;
183 double m_energy_offset = 0.0;
184 double m_entropy_offset = 0.0;
185 std::string m_name;
186 std::string m_formula;
187
188 virtual double ldens()=0;
189
190 //! Saturation pressure, Pa
191 virtual double Psat()=0;
192
193 //! Internal energy of a single-phase state
194 virtual double up()=0;
195
196 //! Entropy of a single-phase state
197 virtual double sp()=0;
198
199 virtual int ideal() {
200 return 0;
201 }
202
203 double vp() {
204 return 1.0/Rho;
205 }
206
207 //! Uses the lever rule to set state in the dome. Returns 1 if in dome,
208 //! 0 if not, in which case state not set.
209 int Lever(int itp, double sat, double val, propertyFlag::type ifunc);
210
211 //! Update saturated liquid and vapor densities and saturation pressure
212 void update_sat();
213
214private:
215 void set_Rho(double r0);
216 void set_T(double t0);
217 void set_v(double v0);
218 void BracketSlope(double p);
219 double vprop(propertyFlag::type ijob);
220 void set_xy(propertyFlag::type if1, propertyFlag::type if2,
221 double X, double Y,
222 double atx, double aty, double rtx, double rty);
223
224 int kbr = 0;
225 double Vmin, Vmax;
226 double Pmin, Pmax;
227 double dvbf, dv;
228 double v_here, P_here;
229};
230
231}
232
233#endif
Base class from which all pure substances are derived.
Definition Sub.h:37
virtual double up()=0
Internal energy of a single-phase state.
const char * formula()
Chemical formula for the substance.
Definition Sub.h:73
virtual double Vcrit()=0
Critical specific volume [m^3/kg].
double hp()
Enthalpy of a single-phase state.
Definition Sub.h:157
int TwoPhase(bool strict=false)
Returns 1 if the current state is a liquid/vapor mixture, 0 otherwise.
Definition Sub.cpp:250
virtual double cp()
Specific heat at constant pressure [J/kg/K].
Definition Sub.cpp:80
double gp()
Gibbs function of a single-phase state.
Definition Sub.h:162
double x()
Vapor mass fraction.
Definition Sub.cpp:262
virtual double Tmax()=0
Maximum temperature for which the equation of state is valid.
double u()
Internal energy [J/kg].
Definition Sub.h:98
virtual double MolWt()=0
Molecular weight [kg/kmol].
double h()
Enthalpy [J/kg].
Definition Sub.h:103
virtual double cv()
Specific heat at constant volume [J/kg/K].
Definition Sub.cpp:42
double Temp()
Temperature [K].
Definition Sub.h:88
virtual double Tmin()=0
Minimum temperature for which the equation of state is valid.
int Lever(int itp, double sat, double val, propertyFlag::type ifunc)
Uses the lever rule to set state in the dome.
Definition Sub.cpp:577
double g()
Gibbs function [J/kg].
Definition Sub.h:118
double P()
Pressure [Pa].
Definition Sub.cpp:35
const char * name()
Name of the substance.
Definition Sub.h:68
virtual double sp()=0
Entropy of a single-phase state.
virtual double Psat()=0
Saturation pressure, Pa.
double f()
Helmholtz function [J/kg].
Definition Sub.h:113
double v()
Specific volume [m^3/kg].
Definition Sub.h:93
virtual double Tcrit()=0
Critical temperature [K].
void Set(PropertyPair::type XY, double x0, double y0)
Function to set or change the state for a property pair XY where x0 is the value of first property an...
Definition Sub.cpp:333
virtual double Pcrit()=0
Critical pressure [Pa].
virtual double dPsdT()
The derivative of the saturation pressure with respect to temperature.
Definition Sub.cpp:233
double Tsat(double p)
Saturation temperature at pressure p.
Definition Sub.cpp:280
void update_sat()
Update saturated liquid and vapor densities and saturation pressure.
Definition Sub.cpp:495
void set_TPp(double t0, double p0)
set T and P
Definition Sub.cpp:768
double s()
Entropy [J/kg/K].
Definition Sub.h:108
Definitions for the classes that are thrown when Cantera experiences an error condition (also contain...
const double Undef
Fairly random number to be used to initialize variables against to see if they are subsequently defin...
Definition ct_defs.h:164