Cantera  3.1.0a1

Virtual base class for a species with a pressure dependent standard state. More...

#include <PDSS.h>

Inheritance diagram for PDSS:
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Detailed Description

Virtual base class for a species with a pressure dependent standard state.

Virtual base class for calculation of the pressure dependent standard state for a single species

Class PDSS is the base class for a family of classes that compute properties of a set of species in their standard states at a range of temperatures and pressures. The independent variables for this object are temperature and pressure. The class may have a reference to a SpeciesThermoInterpType object which handles the calculation of the reference state temperature behavior of the species.

This class is analogous to the SpeciesThermoInterpType class, except that the standard state inherently incorporates the pressure dependence.

The class operates on a setState temperature and pressure basis. It only recalculates the standard state when the setState functions for temperature and pressure are called.

Definition at line 139 of file PDSS.h.

Public Member Functions

virtual void setTemperature (double temp)
 Set the internal temperature. More...
 
virtual double temperature () const
 Return the current stored temperature. More...
 
virtual void setState_TP (double temp, double pres)
 Set the internal temperature and pressure. More...
 
virtual double critTemperature () const
 critical temperature More...
 
virtual double critPressure () const
 critical pressure More...
 
virtual double critDensity () const
 critical density More...
 
virtual double satPressure (double T)
 saturation pressure More...
 
double molecularWeight () const
 Return the molecular weight of the species in units of kg kmol-1. More...
 
void setMolecularWeight (double mw)
 Set the molecular weight of the species. More...
 
Constructors
 PDSS ()=default
 Default Constructor. More...
 
 PDSS (const PDSS &b)=delete
 
PDSSoperator= (const PDSS &b)=delete
 
virtual ~PDSS ()=default
 
Molar Thermodynamic Properties of the Species Standard State
virtual double enthalpy_mole () const
 Return the molar enthalpy in units of J kmol-1. More...
 
virtual double enthalpy_RT () const
 Return the standard state molar enthalpy divided by RT. More...
 
virtual double intEnergy_mole () const
 Return the molar internal Energy in units of J kmol-1. More...
 
virtual double entropy_mole () const
 Return the molar entropy in units of J kmol-1 K-1. More...
 
virtual double entropy_R () const
 Return the standard state entropy divided by RT. More...
 
virtual double gibbs_mole () const
 Return the molar Gibbs free energy in units of J kmol-1. More...
 
virtual double gibbs_RT () const
 Return the molar Gibbs free energy divided by RT. More...
 
virtual double cp_mole () const
 Return the molar const pressure heat capacity in units of J kmol-1 K-1. More...
 
virtual double cp_R () const
 Return the molar const pressure heat capacity divided by RT. More...
 
virtual double cv_mole () const
 Return the molar const volume heat capacity in units of J kmol-1 K-1. More...
 
virtual double molarVolume () const
 Return the molar volume at standard state. More...
 
virtual double density () const
 Return the standard state density at standard state. More...
 
Properties of the Reference State of the Species in the Solution
double refPressure () const
 Return the reference pressure for this phase. More...
 
double minTemp () const
 return the minimum temperature More...
 
double maxTemp () const
 return the minimum temperature More...
 
virtual double gibbs_RT_ref () const
 Return the molar Gibbs free energy divided by RT at reference pressure. More...
 
virtual double enthalpy_RT_ref () const
 Return the molar enthalpy divided by RT at reference pressure. More...
 
virtual double entropy_R_ref () const
 Return the molar entropy divided by R at reference pressure. More...
 
virtual double cp_R_ref () const
 Return the molar heat capacity divided by R at reference pressure. More...
 
virtual double molarVolume_ref () const
 Return the molar volume at reference pressure. More...
 
Mechanical Equation of State Properties
virtual double pressure () const
 Returns the pressure (Pa) More...
 
virtual void setPressure (double pres)
 Sets the pressure in the object. More...
 
virtual double thermalExpansionCoeff () const
 Return the volumetric thermal expansion coefficient. Units: 1/K. More...
 
Initialization of the Object
void setReferenceThermo (shared_ptr< SpeciesThermoInterpType > stit)
 Set the SpeciesThermoInterpType object used to calculate reference state properties. More...
 
virtual void setParent (VPStandardStateTP *phase, size_t k)
 Set the parent VPStandardStateTP object of this PDSS object. More...
 
virtual void initThermo ()
 Initialization routine. More...
 
void setParameters (const AnyMap &node)
 Set model parameters from an AnyMap phase description, for example from the equation-of-state field of a species definition. More...
 
virtual void getParameters (AnyMap &eosNode) const
 Store the parameters needed to reconstruct a copy of this PDSS object. More...
 

Protected Attributes

double m_temp = -1.0
 Current temperature used by the PDSS object. More...
 
double m_pres = -1.0
 State of the system - pressure. More...
 
double m_p0 = -1.0
 Reference state pressure of the species. More...
 
double m_minTemp = -1.0
 Minimum temperature. More...
 
double m_maxTemp = 10000.0
 Maximum temperature. More...
 
double m_mw = 0.0
 Molecular Weight of the species. More...
 
AnyMap m_input
 Input data supplied via setParameters. More...
 
shared_ptr< SpeciesThermoInterpTypem_spthermo
 Pointer to the species thermodynamic property manager. More...
 

Constructor & Destructor Documentation

◆ PDSS()

PDSS ( )
default

Default Constructor.

Member Function Documentation

◆ enthalpy_mole()

double enthalpy_mole ( ) const
virtual

Return the molar enthalpy in units of J kmol-1.

Returns
the species standard state enthalpy in J kmol-1 at the current temperature and pressure.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 18 of file PDSS.cpp.

◆ enthalpy_RT()

double enthalpy_RT ( ) const
virtual

Return the standard state molar enthalpy divided by RT.

Returns
The dimensionless species standard state enthalpy divided at the current temperature and pressure.

Reimplemented in PDSS_Nondimensional, and PDSS_Molar.

Definition at line 23 of file PDSS.cpp.

◆ intEnergy_mole()

double intEnergy_mole ( ) const
virtual

Return the molar internal Energy in units of J kmol-1.

Returns
The species standard state internal Energy in J kmol-1 at the current temperature and pressure.

Reimplemented in PDSS_Water, PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.

Definition at line 28 of file PDSS.cpp.

◆ entropy_mole()

double entropy_mole ( ) const
virtual

Return the molar entropy in units of J kmol-1 K-1.

Returns
The species standard state entropy in J kmol-1 K-1 at the current temperature and pressure.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 33 of file PDSS.cpp.

◆ entropy_R()

double entropy_R ( ) const
virtual

Return the standard state entropy divided by RT.

Returns
The species standard state entropy divided by RT at the current temperature and pressure.

Reimplemented in PDSS_Nondimensional, and PDSS_Molar.

Definition at line 38 of file PDSS.cpp.

◆ gibbs_mole()

double gibbs_mole ( ) const
virtual

Return the molar Gibbs free energy in units of J kmol-1.

Returns
The species standard state Gibbs free energy in J kmol-1 at the current temperature and pressure.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 43 of file PDSS.cpp.

◆ gibbs_RT()

double gibbs_RT ( ) const
virtual

Return the molar Gibbs free energy divided by RT.

Returns
The species standard state Gibbs free energy divided by RT at the current temperature and pressure.

Reimplemented in PDSS_Nondimensional, and PDSS_Molar.

Definition at line 48 of file PDSS.cpp.

◆ cp_mole()

double cp_mole ( ) const
virtual

Return the molar const pressure heat capacity in units of J kmol-1 K-1.

Returns
The species standard state Cp in J kmol-1 K-1 at the current temperature and pressure.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 53 of file PDSS.cpp.

◆ cp_R()

double cp_R ( ) const
virtual

Return the molar const pressure heat capacity divided by RT.

Returns
The species standard state Cp divided by RT at the current temperature and pressure.

Reimplemented in PDSS_Nondimensional, and PDSS_Molar.

Definition at line 58 of file PDSS.cpp.

◆ cv_mole()

double cv_mole ( ) const
virtual

Return the molar const volume heat capacity in units of J kmol-1 K-1.

Returns
The species standard state Cv in J kmol-1 K-1 at the current temperature and pressure.

Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.

Definition at line 73 of file PDSS.cpp.

◆ molarVolume()

double molarVolume ( ) const
virtual

Return the molar volume at standard state.

Returns
The standard state molar volume at the current temperature and pressure. Units are m**3 kmol-1.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 63 of file PDSS.cpp.

◆ density()

double density ( ) const
virtual

Return the standard state density at standard state.

Returns
The standard state density at the current temperature and pressure. units are kg m-3

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 68 of file PDSS.cpp.

◆ refPressure()

double refPressure ( ) const
inline

Return the reference pressure for this phase.

Definition at line 246 of file PDSS.h.

◆ minTemp()

double minTemp ( ) const
inline

return the minimum temperature

Definition at line 251 of file PDSS.h.

◆ maxTemp()

double maxTemp ( ) const
inline

return the minimum temperature

Definition at line 256 of file PDSS.h.

◆ gibbs_RT_ref()

double gibbs_RT_ref ( ) const
virtual

Return the molar Gibbs free energy divided by RT at reference pressure.

Returns
The reference state Gibbs free energy at the current temperature, divided by RT.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 78 of file PDSS.cpp.

◆ enthalpy_RT_ref()

double enthalpy_RT_ref ( ) const
virtual

Return the molar enthalpy divided by RT at reference pressure.

Returns
The species reference state enthalpy at the current temperature, divided by RT.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 83 of file PDSS.cpp.

◆ entropy_R_ref()

double entropy_R_ref ( ) const
virtual

Return the molar entropy divided by R at reference pressure.

Returns
The species reference state entropy at the current temperature, divided by R.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 88 of file PDSS.cpp.

◆ cp_R_ref()

double cp_R_ref ( ) const
virtual

Return the molar heat capacity divided by R at reference pressure.

Returns
The species reference state heat capacity divided by R at the current temperature.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 93 of file PDSS.cpp.

◆ molarVolume_ref()

double molarVolume_ref ( ) const
virtual

Return the molar volume at reference pressure.

Returns
The reference state molar volume. units are m**3 kmol-1.

Reimplemented in PDSS_Water, PDSS_HKFT, and PDSS_Nondimensional.

Definition at line 98 of file PDSS.cpp.

◆ pressure()

double pressure ( ) const
virtual

Returns the pressure (Pa)

Reimplemented in PDSS_Water.

Definition at line 103 of file PDSS.cpp.

◆ setPressure()

void setPressure ( double  pres)
virtual

Sets the pressure in the object.

Currently, this sets the pressure in the PDSS object. It is indeterminant what happens to the owning VPStandardStateTP object.

Parameters
presPressure to be set (Pascal)

Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.

Definition at line 128 of file PDSS.cpp.

◆ thermalExpansionCoeff()

double thermalExpansionCoeff ( ) const
virtual

Return the volumetric thermal expansion coefficient. Units: 1/K.

The thermal expansion coefficient is defined as

\[ \beta = \frac{1}{v}\left(\frac{\partial v}{\partial T}\right)_P \]

Reimplemented in PDSS_Water.

Definition at line 108 of file PDSS.cpp.

◆ setTemperature()

void setTemperature ( double  temp)
virtual

Set the internal temperature.

Parameters
tempTemperature (Kelvin)

Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.

Definition at line 138 of file PDSS.cpp.

◆ temperature()

double temperature ( ) const
virtual

Return the current stored temperature.

Definition at line 133 of file PDSS.cpp.

◆ setState_TP()

void setState_TP ( double  temp,
double  pres 
)
virtual

Set the internal temperature and pressure.

Parameters
tempTemperature (Kelvin)
prespressure (Pascals)

Reimplemented in PDSS_Water, PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.

Definition at line 152 of file PDSS.cpp.

◆ critTemperature()

double critTemperature ( ) const
virtual

critical temperature

Reimplemented in PDSS_Water.

Definition at line 113 of file PDSS.cpp.

◆ critPressure()

double critPressure ( ) const
virtual

critical pressure

Reimplemented in PDSS_Water.

Definition at line 118 of file PDSS.cpp.

◆ critDensity()

double critDensity ( ) const
virtual

critical density

Reimplemented in PDSS_Water.

Definition at line 123 of file PDSS.cpp.

◆ satPressure()

double satPressure ( double  T)
virtual

saturation pressure

Parameters
TTemperature (Kelvin)

Reimplemented in PDSS_Water, PDSS_SSVol, and PDSS_ConstVol.

Definition at line 157 of file PDSS.cpp.

◆ molecularWeight()

double molecularWeight ( ) const

Return the molecular weight of the species in units of kg kmol-1.

Definition at line 143 of file PDSS.cpp.

◆ setMolecularWeight()

void setMolecularWeight ( double  mw)

Set the molecular weight of the species.

Parameters
mwMolecular Weight in kg kmol-1

Definition at line 147 of file PDSS.cpp.

◆ setReferenceThermo()

void setReferenceThermo ( shared_ptr< SpeciesThermoInterpType stit)
inline

Set the SpeciesThermoInterpType object used to calculate reference state properties.

Definition at line 366 of file PDSS.h.

◆ setParent()

virtual void setParent ( VPStandardStateTP phase,
size_t  k 
)
inlinevirtual

Set the parent VPStandardStateTP object of this PDSS object.

This information is only used by certain PDSS subclasses

Parameters
phasePointer to the parent phase
kIndex of this species in the phase

Reimplemented in PDSS_HKFT.

Definition at line 376 of file PDSS.h.

◆ initThermo()

virtual void initThermo ( )
inlinevirtual

Initialization routine.

This is a cascading call, where each level should call the the parent level.

Reimplemented in PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.

Definition at line 383 of file PDSS.h.

◆ setParameters()

void setParameters ( const AnyMap node)
inline

Set model parameters from an AnyMap phase description, for example from the equation-of-state field of a species definition.

Definition at line 387 of file PDSS.h.

◆ getParameters()

virtual void getParameters ( AnyMap eosNode) const
inlinevirtual

Store the parameters needed to reconstruct a copy of this PDSS object.

Reimplemented in PDSS_Water, PDSS_SSVol, PDSS_HKFT, and PDSS_ConstVol.

Definition at line 392 of file PDSS.h.

Member Data Documentation

◆ m_temp

double m_temp = -1.0
mutableprotected

Current temperature used by the PDSS object.

Definition at line 398 of file PDSS.h.

◆ m_pres

double m_pres = -1.0
mutableprotected

State of the system - pressure.

Definition at line 401 of file PDSS.h.

◆ m_p0

double m_p0 = -1.0
protected

Reference state pressure of the species.

Definition at line 404 of file PDSS.h.

◆ m_minTemp

double m_minTemp = -1.0
protected

Minimum temperature.

Definition at line 407 of file PDSS.h.

◆ m_maxTemp

double m_maxTemp = 10000.0
protected

Maximum temperature.

Definition at line 410 of file PDSS.h.

◆ m_mw

double m_mw = 0.0
protected

Molecular Weight of the species.

Definition at line 413 of file PDSS.h.

◆ m_input

AnyMap m_input
protected

Input data supplied via setParameters.

This may include parameters for different phase models, which will be used when initThermo() is called.

Definition at line 417 of file PDSS.h.

◆ m_spthermo

shared_ptr<SpeciesThermoInterpType> m_spthermo
protected

Pointer to the species thermodynamic property manager.

Not used in all PDSS models.

Definition at line 421 of file PDSS.h.


The documentation for this class was generated from the following files: