Cantera  3.0.0
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PDSS.h
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1/**
2 * @file PDSS.h
3 * Declarations for the virtual base class PDSS (pressure dependent standard state)
4 * which handles calculations for a single species in a phase
5 * (see @ref pdssthermo and class @link Cantera::PDSS PDSS@endlink).
6 */
7
8// This file is part of Cantera. See License.txt in the top-level directory or
9// at https://cantera.org/license.txt for license and copyright information.
10
11#ifndef CT_PDSS_H
12#define CT_PDSS_H
14#include "cantera/base/AnyMap.h"
15
16namespace Cantera
17{
18/**
19 * @defgroup pdssthermo Species Standard-State Thermodynamic Properties
20 *
21 * In this module we describe %Cantera's treatment of pressure dependent
22 * standard states (PDSS) objects. These are objects that calculate the standard
23 * state of a single species that depends on both temperature and pressure.
24 *
25 * To compute the thermodynamic properties of multicomponent solutions, it is
26 * necessary to know something about the thermodynamic properties of the
27 * individual species present in the solution. Exactly what sort of species
28 * properties are required depends on the thermodynamic model for the solution.
29 * For a gaseous solution (that is, a gas mixture), the species properties required
30 * are usually ideal gas properties at the mixture temperature and at a
31 * reference pressure (almost always at 1 bar). For other types of solutions,
32 * however, it may not be possible to isolate the species in a "pure" state. For
33 * example, the thermodynamic properties of, say, Na+ and Cl- in saltwater are
34 * not easily determined from data on the properties of solid NaCl, or solid Na
35 * metal, or chlorine gas. In this case, the solvation in water is fundamental
36 * to the identity of the species, and some other reference state must be used.
37 * One common convention for liquid solutions is to use thermodynamic data for
38 * the solutes in the limit of infinite dilution within the pure solvent;
39 * another convention is to reference all properties to unit molality.
40 *
41 * In defining these standard states for species in a phase, we make the
42 * following definition. A reference state is a standard state of a species in a
43 * phase limited to one particular pressure, the reference pressure. The
44 * reference state specifies the dependence of all thermodynamic functions as a
45 * function of the temperature, in between a minimum temperature and a maximum
46 * temperature. The reference state also specifies the molar volume of the
47 * species as a function of temperature. The molar volume is a thermodynamic
48 * function. A full standard state does the same thing as a reference state, but
49 * specifies the thermodynamics functions at all pressures.
50 *
51 * Class PDSS is the base class for a family of classes that compute properties
52 * of a single species in a phase at its standard states, for a range of
53 * temperatures and pressures. PDSS objects are used by derivatives of the
54 * VPStandardState class. These classes assume that there exists a standard
55 * state for each species in the phase, where the thermodynamic functions are
56 * specified as a function of temperature and pressure. Standard state objects
57 * for each species in the phase are all derived from the PDSS virtual base
58 * class.
59 *
60 * The following classes inherit from PDSS. Each of these classes handles just
61 * one species.
62 *
63 * - PDSS_IdealGas
64 * - standardState model = "IdealGas"
65 * - This model assumes that the species in the phase obeys the ideal gas law
66 * for their pressure dependence. The manager uses a SpeciesThermoInterpType object
67 * to handle the calculation of the reference state. This object adds the
68 * pressure dependencies to the thermo functions.
69 *
70 * - PDSS_ConstVol (deprecated in %Cantera 3.0)
71 * - standardState model = "ConstVol" or "constant_incompressible"
72 * - This model assumes that the species in the phase obeys the constant
73 * partial molar volume pressure dependence. The manager uses a
74 * SpeciesThermoInterpType object to handle the calculation of the reference state.
75 * This object adds the pressure dependencies to these thermo functions.
76 *
77 * - PDSS_SSVol
78 * - standardState model = "temperature_polynomial"
79 * - standardState model = "density_temperature_polynomial"
80 * - This model assumes that the species in the phase obey a fairly general
81 * equation of state, but one that separates out the calculation of the
82 * standard state density and/or volume. Models include a cubic polynomial
83 * in temperature for either the standard state volume or the standard state
84 * density. The manager uses a SpeciesThermoInterpType object to handle the
85 * calculation of the reference state. This object then adds the pressure
86 * dependencies and the volume terms to these thermo functions to complete the
87 * representation.
88 *
89 * - PDSS_Water
90 * - standardState model = "Water"
91 * - This model assumes that Species 0 is assumed to be water, and a real
92 * equation of state is used to model the T, P behavior. Note, the model
93 * assumes that the species is liquid water, and not steam.
94 *
95 * - PDSS_HKFT
96 * - standardState model = "HKFT"
97 * - This model assumes that the species follows the HKFT pressure dependent
98 * equation of state
99 *
100 * Normally the PDSS object is not called directly. Instead the
101 * VPStandardStateTP object manages the calls to the PDSS object for the entire
102 * set of species that comprise a phase.
103 *
104 * The PDSS objects may or may not utilize a SpeciesThermoInterpType reference
105 * state manager class to calculate the reference state thermodynamics functions
106 * in their own calculation. There are some classes, such as PDSS_IdealGas and
107 * PDSS_ConstVol, which utilize the SpeciesThermoInterpType object because the
108 * calculation is very similar to the reference state calculation, while there
109 * are other classes, PDSS_Water and PDSS_HKFT, which don't utilize the
110 * reference state calculation at all, because it wouldn't make sense to. For
111 * example, using the PDSS_Water module, there isn't anything special about the
112 * reference pressure of 1 bar, so the reference state calculation would
113 * represent a duplication of work. Additionally, when evaluating thermodynamic
114 * properties at higher pressures and temperatures, near the critical point,
115 * evaluation of the thermodynamics at a pressure of 1 bar may lead to
116 * situations where the liquid is unstable, that is, beyond the spinodal curve
117 * leading to potentially wrong evaluation results.
118 *
119 * @ingroup thermoprops
120 */
121
122class SpeciesThermoInterpType;
123class VPStandardStateTP;
124
125//! Virtual base class for a species with a pressure dependent standard state
126/*!
127 * Virtual base class for calculation of the pressure dependent standard state
128 * for a single species
129 *
130 * Class PDSS is the base class for a family of classes that compute properties
131 * of a set of species in their standard states at a range of temperatures and
132 * pressures. The independent variables for this object are temperature and
133 * pressure. The class may have a reference to a SpeciesThermoInterpType object
134 * which handles the calculation of the reference state temperature behavior of
135 * the species.
136 *
137 * This class is analogous to the SpeciesThermoInterpType class, except that
138 * the standard state inherently incorporates the pressure dependence.
139 *
140 * The class operates on a setState temperature and pressure basis. It only
141 * recalculates the standard state when the setState functions for temperature
142 * and pressure are called.
143 *
144 * @ingroup pdssthermo
145 */
146class PDSS
147{
148public:
149 //! @name Constructors
150 //! @{
151
152 //! Default Constructor
153 PDSS() = default;
154
155 // PDSS objects are not copyable or assignable
156 PDSS(const PDSS& b) = delete;
157 PDSS& operator=(const PDSS& b) = delete;
158 virtual ~PDSS() = default;
159
160 //! @}
161 //! @name Molar Thermodynamic Properties of the Species Standard State
162 //! @{
163
164 //! Return the molar enthalpy in units of J kmol-1
165 /*!
166 * @return the species standard state enthalpy in J kmol-1 at the current
167 * temperature and pressure.
168 */
169 virtual double enthalpy_mole() const;
170
171 //! Return the standard state molar enthalpy divided by RT
172 /*!
173 * @return The dimensionless species standard state enthalpy divided at
174 * the current temperature and pressure.
175 */
176 virtual double enthalpy_RT() const;
177
178 //! Return the molar internal Energy in units of J kmol-1
179 /*!
180 * @return The species standard state internal Energy in J kmol-1 at the
181 * current temperature and pressure.
182 */
183 virtual double intEnergy_mole() const;
184
185 //! Return the molar entropy in units of J kmol-1 K-1
186 /*!
187 * @return The species standard state entropy in J kmol-1 K-1 at the
188 * current temperature and pressure.
189 */
190 virtual double entropy_mole() const;
191
192 //! Return the standard state entropy divided by RT
193 /*!
194 * @return The species standard state entropy divided by RT at the current
195 * temperature and pressure.
196 */
197 virtual double entropy_R() const;
198
199 //! Return the molar Gibbs free energy in units of J kmol-1
200 /*!
201 * @return The species standard state Gibbs free energy in J kmol-1 at the
202 * current temperature and pressure.
203 */
204 virtual double gibbs_mole() const;
205
206 //! Return the molar Gibbs free energy divided by RT
207 /*!
208 * @return The species standard state Gibbs free energy divided by RT at
209 * the current temperature and pressure.
210 */
211 virtual double gibbs_RT() const;
212
213 //! Return the molar const pressure heat capacity in units of J kmol-1 K-1
214 /*!
215 * @return The species standard state Cp in J kmol-1 K-1 at the current
216 * temperature and pressure.
217 */
218 virtual double cp_mole() const;
219
220 //! Return the molar const pressure heat capacity divided by RT
221 /*!
222 * @return The species standard state Cp divided by RT at the current
223 * temperature and pressure.
224 */
225 virtual double cp_R() const;
226
227 //! Return the molar const volume heat capacity in units of J kmol-1 K-1
228 /*!
229 * @return The species standard state Cv in J kmol-1 K-1 at the
230 * current temperature and pressure.
231 */
232 virtual double cv_mole() const;
233
234 //! Return the molar volume at standard state
235 /*!
236 * @return The standard state molar volume at the current temperature and
237 * pressure. Units are m**3 kmol-1.
238 */
239 virtual double molarVolume() const;
240
241 //! Return the standard state density at standard state
242 /*!
243 * @return The standard state density at the current temperature and
244 * pressure. units are kg m-3
245 */
246 virtual double density() const;
247
248 //! Get the difference in the standard state enthalpy
249 //! between the current pressure and the reference pressure, p0.
250 //! @deprecated To be removed after %Cantera 3.0
251 virtual double enthalpyDelp_mole() const;
252
253 //! Get the difference in the standard state entropy between
254 //! the current pressure and the reference pressure, p0
255 //! @deprecated To be removed after %Cantera 3.0
256 virtual double entropyDelp_mole() const;
257
258 //! Get the difference in the standard state Gibbs free energy
259 //! between the current pressure and the reference pressure, p0.
260 //! @deprecated To be removed after %Cantera 3.0
261 virtual double gibbsDelp_mole() const;
262
263 //! Get the difference in standard state heat capacity
264 //! between the current pressure and the reference pressure, p0.
265 //! @deprecated To be removed after %Cantera 3.0
266 virtual double cpDelp_mole() const;
267
268 //! @}
269 //! @name Properties of the Reference State of the Species in the Solution
270 //! @{
271
272 //! Return the reference pressure for this phase.
273 double refPressure() const {
274 return m_p0;
275 }
276
277 //! return the minimum temperature
278 double minTemp() const {
279 return m_minTemp;
280 }
281
282 //! return the minimum temperature
283 double maxTemp() const {
284 return m_maxTemp;
285 }
286
287 //! Return the molar Gibbs free energy divided by RT at reference pressure
288 /*!
289 * @return The reference state Gibbs free energy at the current
290 * temperature, divided by RT.
291 */
292 virtual double gibbs_RT_ref() const;
293
294 //! Return the molar enthalpy divided by RT at reference pressure
295 /*!
296 * @return The species reference state enthalpy at the current
297 * temperature, divided by RT.
298 */
299 virtual double enthalpy_RT_ref() const;
300
301 //! Return the molar entropy divided by R at reference pressure
302 /*!
303 * @return The species reference state entropy at the current
304 * temperature, divided by R.
305 */
306 virtual double entropy_R_ref() const;
307
308 //! Return the molar heat capacity divided by R at reference pressure
309 /*!
310 * @return The species reference state heat capacity divided by R at the
311 * current temperature.
312 */
313 virtual double cp_R_ref() const;
314
315 //! Return the molar volume at reference pressure
316 /*!
317 * @return The reference state molar volume. units are m**3 kmol-1.
318 */
319 virtual double molarVolume_ref() const;
320
321 //! @}
322 //! @name Mechanical Equation of State Properties
323 //! @{
324
325 //! Returns the pressure (Pa)
326 virtual double pressure() const;
327
328 //! Sets the pressure in the object
329 /*!
330 * Currently, this sets the pressure in the PDSS object. It is indeterminant
331 * what happens to the owning VPStandardStateTP object.
332 *
333 * @param pres Pressure to be set (Pascal)
334 */
335 virtual void setPressure(double pres);
336
337 //! Return the volumetric thermal expansion coefficient. Units: 1/K.
338 /*!
339 * The thermal expansion coefficient is defined as
340 * @f[
341 * \beta = \frac{1}{v}\left(\frac{\partial v}{\partial T}\right)_P
342 * @f]
343 */
344 virtual double thermalExpansionCoeff() const;
345 //! @}
346
347 //! Set the internal temperature
348 /*!
349 * @param temp Temperature (Kelvin)
350 */
351 virtual void setTemperature(double temp);
352
353 //! Return the current stored temperature
354 virtual double temperature() const;
355
356 //! Set the internal temperature and pressure
357 /*!
358 * @param temp Temperature (Kelvin)
359 * @param pres pressure (Pascals)
360 */
361 virtual void setState_TP(double temp, double pres);
362
363 //! Set the internal temperature and density
364 /*!
365 * @param temp Temperature (Kelvin)
366 * @param rho Density (kg m-3)
367 * @deprecated To be removed after %Cantera 3.0
368 */
369 virtual void setState_TR(double temp, double rho);
370
371 //! critical temperature
372 virtual double critTemperature() const;
373
374 //! critical pressure
375 virtual double critPressure() const;
376
377 //! critical density
378 virtual double critDensity() const;
379
380 //! saturation pressure
381 /*!
382 * @param T Temperature (Kelvin)
383 */
384 virtual double satPressure(double T);
385
386 //! Return the molecular weight of the species
387 //! in units of kg kmol-1
388 double molecularWeight() const;
389
390 //! Set the molecular weight of the species
391 /*!
392 * @param mw Molecular Weight in kg kmol-1
393 */
394 void setMolecularWeight(double mw);
395
396 //! @name Initialization of the Object
397 //! @{
398
399 //! Set the SpeciesThermoInterpType object used to calculate reference
400 //! state properties
401 void setReferenceThermo(shared_ptr<SpeciesThermoInterpType> stit) {
402 m_spthermo = stit;
403 }
404
405 //! Set the parent VPStandardStateTP object of this PDSS object
406 /*!
407 * This information is only used by certain PDSS subclasses
408 * @param phase Pointer to the parent phase
409 * @param k Index of this species in the phase
410 */
411 virtual void setParent(VPStandardStateTP* phase, size_t k) {}
412
413 //! Initialization routine
414 /*!
415 * This is a cascading call, where each level should call the the parent
416 * level.
417 */
418 virtual void initThermo() {}
419
420 //! Set model parameters from an AnyMap phase description, for example from the
421 //! `equation-of-state` field of a species definition.
422 void setParameters(const AnyMap& node) {
423 m_input = node;
424 }
425
426 //! Store the parameters needed to reconstruct a copy of this PDSS object
427 virtual void getParameters(AnyMap& eosNode) const {}
428
429 //! This utility function reports back the type of parameterization and
430 //! all of the parameters for the species, index.
431 /*!
432 * @param kindex Species index (unused)
433 * @param type Integer type of the standard type (unused)
434 * @param c Vector of coefficients used to set the
435 * parameters for the standard state.
436 * @param minTemp output - Minimum temperature
437 * @param maxTemp output - Maximum temperature
438 * @param refPressure output - reference pressure (Pa).
439 * @deprecated To be removed after %Cantera 3.0. Use getParameters() instead.
440 */
441 virtual void reportParams(size_t& kindex, int& type, double* const c,
442 double& minTemp, double& maxTemp,
443 double& refPressure) const;
444
445 //! @}
446
447protected:
448 //! Current temperature used by the PDSS object
449 mutable double m_temp = -1.0;
450
451 //! State of the system - pressure
452 mutable double m_pres = -1.0;
453
454 //! Reference state pressure of the species.
455 double m_p0 = -1.0;
456
457 //! Minimum temperature
458 double m_minTemp = -1.0;
459
460 //! Maximum temperature
461 double m_maxTemp = 10000.0;
462
463 //! Molecular Weight of the species
464 double m_mw = 0.0;
465
466 //! Input data supplied via setParameters. This may include parameters for
467 //! different phase models, which will be used when initThermo() is called.
469
470 //! Pointer to the species thermodynamic property manager. Not used in all
471 //! PDSS models.
472 shared_ptr<SpeciesThermoInterpType> m_spthermo;
473};
474
475//! Base class for PDSS classes which compute molar properties directly
476class PDSS_Molar : public virtual PDSS
477{
478public:
479 double enthalpy_RT() const override;
480 double entropy_R() const override;
481 double gibbs_RT() const override;
482 double cp_R() const override;
483};
484
485//! Base class for PDSS classes which compute nondimensional properties directly
486class PDSS_Nondimensional : public virtual PDSS
487{
488public:
490
491 double enthalpy_mole() const override;
492 double entropy_mole() const override;
493 double gibbs_mole() const override;
494 double cp_mole() const override;
495
496 double enthalpy_RT_ref() const override;
497 double entropy_R_ref() const override;
498 double gibbs_RT_ref() const override;
499 double cp_R_ref() const override;
500 double molarVolume_ref() const override;
501 double enthalpy_RT() const override;
502 double entropy_R() const override;
503 double gibbs_RT() const override;
504 double cp_R() const override;
505 double molarVolume() const override;
506 double density() const override;
507
508protected:
509 double m_h0_RT; //!< Reference state enthalpy divided by RT
510 double m_cp0_R; //!< Reference state heat capacity divided by R
511 double m_s0_R; //!< Reference state entropy divided by R
512 double m_g0_RT; //!< Reference state Gibbs free energy divided by RT
513 double m_V0; //!< Reference state molar volume (m^3/kmol)
514 double m_hss_RT; //!< Standard state enthalpy divided by RT
515 double m_cpss_R; //!< Standard state heat capacity divided by R
516 double m_sss_R; //!< Standard state entropy divided by R
517 double m_gss_RT; //!< Standard state Gibbs free energy divided by RT
518 double m_Vss; //!< Standard State molar volume (m^3/kmol)
519};
520
521}
522
523#endif
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
Base class for PDSS classes which compute molar properties directly.
Definition PDSS.h:477
double cp_R() const override
Return the molar const pressure heat capacity divided by RT.
Definition PDSS.cpp:220
double entropy_R() const override
Return the standard state entropy divided by RT.
Definition PDSS.cpp:210
double enthalpy_RT() const override
Return the standard state molar enthalpy divided by RT.
Definition PDSS.cpp:205
double gibbs_RT() const override
Return the molar Gibbs free energy divided by RT.
Definition PDSS.cpp:215
Base class for PDSS classes which compute nondimensional properties directly.
Definition PDSS.h:487
double molarVolume() const override
Return the molar volume at standard state.
Definition PDSS.cpp:306
double enthalpy_mole() const override
Return the molar enthalpy in units of J kmol-1.
Definition PDSS.cpp:241
double m_sss_R
Standard state entropy divided by R.
Definition PDSS.h:516
double gibbs_RT_ref() const override
Return the molar Gibbs free energy divided by RT at reference pressure.
Definition PDSS.cpp:261
double cp_R() const override
Return the molar const pressure heat capacity divided by RT.
Definition PDSS.cpp:301
double m_cpss_R
Standard state heat capacity divided by R.
Definition PDSS.h:515
double entropy_R_ref() const override
Return the molar entropy divided by R at reference pressure.
Definition PDSS.cpp:271
double enthalpy_RT_ref() const override
Return the molar enthalpy divided by RT at reference pressure.
Definition PDSS.cpp:266
double m_h0_RT
Reference state enthalpy divided by RT.
Definition PDSS.h:509
double m_g0_RT
Reference state Gibbs free energy divided by RT.
Definition PDSS.h:512
double m_s0_R
Reference state entropy divided by R.
Definition PDSS.h:511
double entropy_mole() const override
Return the molar entropy in units of J kmol-1 K-1.
Definition PDSS.cpp:246
double m_gss_RT
Standard state Gibbs free energy divided by RT.
Definition PDSS.h:517
double entropy_R() const override
Return the standard state entropy divided by RT.
Definition PDSS.cpp:291
double m_cp0_R
Reference state heat capacity divided by R.
Definition PDSS.h:510
double cp_mole() const override
Return the molar const pressure heat capacity in units of J kmol-1 K-1.
Definition PDSS.cpp:256
double enthalpy_RT() const override
Return the standard state molar enthalpy divided by RT.
Definition PDSS.cpp:286
double m_Vss
Standard State molar volume (m^3/kmol)
Definition PDSS.h:518
double density() const override
Return the standard state density at standard state.
Definition PDSS.cpp:311
double gibbs_mole() const override
Return the molar Gibbs free energy in units of J kmol-1.
Definition PDSS.cpp:251
double m_hss_RT
Standard state enthalpy divided by RT.
Definition PDSS.h:514
double molarVolume_ref() const override
Return the molar volume at reference pressure.
Definition PDSS.cpp:281
double gibbs_RT() const override
Return the molar Gibbs free energy divided by RT.
Definition PDSS.cpp:296
double m_V0
Reference state molar volume (m^3/kmol)
Definition PDSS.h:513
double cp_R_ref() const override
Return the molar heat capacity divided by R at reference pressure.
Definition PDSS.cpp:276
Virtual base class for a species with a pressure dependent standard state.
Definition PDSS.h:147
virtual double satPressure(double T)
saturation pressure
Definition PDSS.cpp:186
double molecularWeight() const
Return the molecular weight of the species in units of kg kmol-1.
Definition PDSS.cpp:167
virtual double enthalpyDelp_mole() const
Get the difference in the standard state enthalpy between the current pressure and the reference pres...
Definition PDSS.cpp:103
virtual double cv_mole() const
Return the molar const volume heat capacity in units of J kmol-1 K-1.
Definition PDSS.cpp:73
virtual void reportParams(size_t &kindex, int &type, double *const c, double &minTemp, double &maxTemp, double &refPressure) const
This utility function reports back the type of parameterization and all of the parameters for the spe...
Definition PDSS.cpp:191
virtual void setTemperature(double temp)
Set the internal temperature.
Definition PDSS.cpp:162
virtual double entropy_mole() const
Return the molar entropy in units of J kmol-1 K-1.
Definition PDSS.cpp:33
virtual void initThermo()
Initialization routine.
Definition PDSS.h:418
virtual double enthalpy_mole() const
Return the molar enthalpy in units of J kmol-1.
Definition PDSS.cpp:18
virtual double gibbs_RT() const
Return the molar Gibbs free energy divided by RT.
Definition PDSS.cpp:48
double m_p0
Reference state pressure of the species.
Definition PDSS.h:455
virtual double cp_R_ref() const
Return the molar heat capacity divided by R at reference pressure.
Definition PDSS.cpp:93
double m_temp
Current temperature used by the PDSS object.
Definition PDSS.h:449
virtual double density() const
Return the standard state density at standard state.
Definition PDSS.cpp:68
virtual double pressure() const
Returns the pressure (Pa)
Definition PDSS.cpp:127
virtual double gibbsDelp_mole() const
Get the difference in the standard state Gibbs free energy between the current pressure and the refer...
Definition PDSS.cpp:115
void setParameters(const AnyMap &node)
Set model parameters from an AnyMap phase description, for example from the equation-of-state field o...
Definition PDSS.h:422
double minTemp() const
return the minimum temperature
Definition PDSS.h:278
shared_ptr< SpeciesThermoInterpType > m_spthermo
Pointer to the species thermodynamic property manager.
Definition PDSS.h:472
virtual double entropyDelp_mole() const
Get the difference in the standard state entropy between the current pressure and the reference press...
Definition PDSS.cpp:109
double refPressure() const
Return the reference pressure for this phase.
Definition PDSS.h:273
PDSS()=default
Default Constructor.
void setMolecularWeight(double mw)
Set the molecular weight of the species.
Definition PDSS.cpp:171
virtual double cp_mole() const
Return the molar const pressure heat capacity in units of J kmol-1 K-1.
Definition PDSS.cpp:53
virtual double gibbs_mole() const
Return the molar Gibbs free energy in units of J kmol-1.
Definition PDSS.cpp:43
virtual double temperature() const
Return the current stored temperature.
Definition PDSS.cpp:157
virtual double entropy_R_ref() const
Return the molar entropy divided by R at reference pressure.
Definition PDSS.cpp:88
virtual void setState_TR(double temp, double rho)
Set the internal temperature and density.
Definition PDSS.cpp:181
double m_pres
State of the system - pressure.
Definition PDSS.h:452
virtual double molarVolume_ref() const
Return the molar volume at reference pressure.
Definition PDSS.cpp:98
double m_maxTemp
Maximum temperature.
Definition PDSS.h:461
double m_minTemp
Minimum temperature.
Definition PDSS.h:458
virtual double thermalExpansionCoeff() const
Return the volumetric thermal expansion coefficient. Units: 1/K.
Definition PDSS.cpp:132
virtual double enthalpy_RT() const
Return the standard state molar enthalpy divided by RT.
Definition PDSS.cpp:23
virtual double critDensity() const
critical density
Definition PDSS.cpp:147
virtual double enthalpy_RT_ref() const
Return the molar enthalpy divided by RT at reference pressure.
Definition PDSS.cpp:83
virtual double entropy_R() const
Return the standard state entropy divided by RT.
Definition PDSS.cpp:38
virtual double critTemperature() const
critical temperature
Definition PDSS.cpp:137
virtual void setParent(VPStandardStateTP *phase, size_t k)
Set the parent VPStandardStateTP object of this PDSS object.
Definition PDSS.h:411
double m_mw
Molecular Weight of the species.
Definition PDSS.h:464
AnyMap m_input
Input data supplied via setParameters.
Definition PDSS.h:468
virtual double cp_R() const
Return the molar const pressure heat capacity divided by RT.
Definition PDSS.cpp:58
void setReferenceThermo(shared_ptr< SpeciesThermoInterpType > stit)
Set the SpeciesThermoInterpType object used to calculate reference state properties.
Definition PDSS.h:401
virtual double molarVolume() const
Return the molar volume at standard state.
Definition PDSS.cpp:63
virtual double intEnergy_mole() const
Return the molar internal Energy in units of J kmol-1.
Definition PDSS.cpp:28
double maxTemp() const
return the minimum temperature
Definition PDSS.h:283
virtual double critPressure() const
critical pressure
Definition PDSS.cpp:142
virtual double cpDelp_mole() const
Get the difference in standard state heat capacity between the current pressure and the reference pre...
Definition PDSS.cpp:121
virtual void getParameters(AnyMap &eosNode) const
Store the parameters needed to reconstruct a copy of this PDSS object.
Definition PDSS.h:427
virtual void setPressure(double pres)
Sets the pressure in the object.
Definition PDSS.cpp:152
virtual double gibbs_RT_ref() const
Return the molar Gibbs free energy divided by RT at reference pressure.
Definition PDSS.cpp:78
virtual void setState_TP(double temp, double pres)
Set the internal temperature and pressure.
Definition PDSS.cpp:176
This is a filter class for ThermoPhase that implements some preparatory steps for efficiently handlin...
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