Cantera  2.1.2
Protected Attributes | List of all members

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

#include <PDSS.h>

Inheritance diagram for PDSS:
[legend]
Collaboration diagram for PDSS:
[legend]

Public Member Functions

Constructors
 PDSS ()
 Empty Constructor. More...
 
 PDSS (VPStandardStateTP *tp, size_t spindex)
 Constructor that initializes the object by examining the XML entries from the ThermoPhase object. More...
 
 PDSS (const PDSS &b)
 Copy Constructor. More...
 
PDSSoperator= (const PDSS &b)
 Assignment operator. More...
 
virtual ~PDSS ()
 Destructor for the phase. More...
 
virtual PDSSduplMyselfAsPDSS () const
 Duplication routine for objects which inherit from PDSS. More...
 
Molar Thermodynamic Properties of the Species Standard State in the Solution
virtual doublereal enthalpy_mole () const
 Return the molar enthalpy in units of J kmol-1. More...
 
virtual doublereal enthalpy_RT () const
 Return the standard state molar enthalpy divided by RT. More...
 
virtual doublereal intEnergy_mole () const
 Return the molar internal Energy in units of J kmol-1. More...
 
virtual doublereal entropy_mole () const
 Return the molar entropy in units of J kmol-1 K-1. More...
 
virtual doublereal entropy_R () const
 Return the standard state entropy divided by RT. More...
 
virtual doublereal gibbs_mole () const
 Return the molar Gibbs free energy in units of J kmol-1. More...
 
virtual doublereal gibbs_RT () const
 Return the molar Gibbs free energy divided by RT. More...
 
virtual doublereal cp_mole () const
 Return the molar const pressure heat capacity in units of J kmol-1 K-1. More...
 
virtual doublereal cp_R () const
 Return the molar const pressure heat capacity divided by RT. More...
 
virtual doublereal cv_mole () const
 Return the molar const volume heat capacity in units of J kmol-1 K-1. More...
 
virtual doublereal molarVolume () const
 Return the molar volume at standard state. More...
 
virtual doublereal density () const
 Return the standard state density at standard state. More...
 
virtual doublereal enthalpyDelp_mole () const
 Get the difference in the standard state enthalpy between the current pressure and the reference pressure, p0. More...
 
virtual doublereal entropyDelp_mole () const
 Get the difference in the standard state entropy between the current pressure and the reference pressure, p0. More...
 
virtual doublereal gibbsDelp_mole () const
 Get the difference in the standard state gibbs free energy between the current pressure and the reference pressure, p0. More...
 
virtual doublereal cpDelp_mole () const
 Get the difference in standard state heat capacity between the current pressure and the reference pressure, p0. More...
 
Properties of the Reference State of the Species in the Solution
doublereal refPressure () const
 Return the reference pressure for this phase. More...
 
doublereal minTemp () const
 return the minimum temperature More...
 
doublereal maxTemp () const
 return the minimum temperature More...
 
virtual doublereal gibbs_RT_ref () const
 Return the molar gibbs free energy divided by RT at reference pressure. More...
 
virtual doublereal enthalpy_RT_ref () const
 Return the molar enthalpy divided by RT at reference pressure. More...
 
virtual doublereal entropy_R_ref () const
 Return the molar entropy divided by R at reference pressure. More...
 
virtual doublereal cp_R_ref () const
 Return the molar heat capacity divided by R at reference pressure. More...
 
virtual doublereal molarVolume_ref () const
 Return the molar volume at reference pressure. More...
 
Mechanical Equation of State Properties
virtual doublereal pressure () const
 Returns the pressure (Pa) More...
 
virtual void setPressure (doublereal pres)
 Sets the pressure in the object. More...
 
virtual doublereal thermalExpansionCoeff () const
 Return the volumetric thermal expansion coefficient. Units: 1/K. More...
 
Partial Molar Properties of the Solution
virtual void setTemperature (doublereal temp)
 Set the internal temperature. More...
 
doublereal temperature () const
 Return the current stored temperature. More...
 
virtual void setState_TP (doublereal temp, doublereal pres)
 Set the internal temperature and pressure. More...
 
virtual void setState_TR (doublereal temp, doublereal rho)
 Set the internal temperature and density. More...
 
Miscellaneous properties of the standard state
virtual doublereal critTemperature () const
 critical temperature More...
 
virtual doublereal critPressure () const
 critical pressure More...
 
virtual doublereal critDensity () const
 critical density More...
 
virtual doublereal satPressure (doublereal T)
 saturation pressure More...
 
doublereal molecularWeight () const
 Return the molecular weight of the species in units of kg kmol-1. More...
 
void setMolecularWeight (doublereal mw)
 Set the molecular weight of the species. More...
 

Protected Attributes

PDSS_enumType m_pdssType
 Enumerated type describing the type of the PDSS object. More...
 
doublereal m_temp
 Current temperature used by the PDSS object. More...
 
doublereal m_pres
 State of the system - pressure. More...
 
doublereal m_p0
 Reference state pressure of the species. More...
 
doublereal m_minTemp
 Minimum temperature. More...
 
doublereal m_maxTemp
 Maximum temperature. More...
 
VPStandardStateTPm_tp
 ThermoPhase which this species belongs to. More...
 
VPSSMgrm_vpssmgr_ptr
 Pointer to the VPSS manager for this object. More...
 
doublereal m_mw
 Molecular Weight of the species. More...
 
size_t m_spindex
 Species index in the ThermoPhase corresponding to this species. More...
 
SpeciesThermom_spthermo
 Pointer to the species thermodynamic property manager. More...
 
doublereal * m_h0_RT_ptr
 Reference state enthalpy divided by RT. More...
 
doublereal * m_cp0_R_ptr
 Reference state heat capacity divided by R. More...
 
doublereal * m_s0_R_ptr
 Reference state entropy divided by R. More...
 
doublereal * m_g0_RT_ptr
 Reference state Gibbs free energy divided by RT. More...
 
doublereal * m_V0_ptr
 Reference state molar volume (m3 kg-1) More...
 
doublereal * m_hss_RT_ptr
 Standard state enthalpy divided by RT. More...
 
doublereal * m_cpss_R_ptr
 Standard state heat capacity divided by R. More...
 
doublereal * m_sss_R_ptr
 Standard state entropy divided by R. More...
 
doublereal * m_gss_RT_ptr
 Standard state Gibbs free energy divided by RT. More...
 
doublereal * m_Vss_ptr
 Standard State molar volume (m3 kg-1) More...
 

Utilities

PDSS_enumType reportPDSSType () const
 Returns the type of the standard state parameterization. More...
 
void err (const std::string &msg) const
 Set an error within this object for an unhandled capability. More...
 

Initialization of the Object

virtual void initThermo ()
 Initialization routine for all of the shallow pointers. More...
 
virtual void initThermoXML (const XML_Node &phaseNode, const std::string &id)
 Initialization routine for the PDSS object based on the phaseNode. More...
 
virtual void reportParams (size_t &kindex, int &type, doublereal *const c, doublereal &minTemp, doublereal &maxTemp, doublereal &refPressure) const
 This utility function reports back the type of parameterization and all of the parameters for the species, index. More...
 
virtual void initAllPtrs (VPStandardStateTP *vptp_ptr, VPSSMgr *vpssmgr_ptr, SpeciesThermo *spthermo_ptr)
 Initialize or Reinitialize all shallow pointers in the object. More...
 
void initPtrs ()
 Initialize all of the internal shallow pointers that can be initialized. More...
 

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 SpeciesThermo object which handles the calculation of the reference state temperature behavior of a subset of 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.

Thread Safety

These classes are designed such that they are not thread safe when called by themselves. The reason for this is that they sometimes use shared SpeciesThermo resources where they set the states. This condition may be remedied in the future if we get serious about employing multithreaded capabilities by adding mutex locks to the SpeciesThermo resources.

However, in many other respects they can be thread safe. They use separate memory and hold intermediate data.

Definition at line 195 of file PDSS.h.

Constructor & Destructor Documentation

PDSS ( )

Empty Constructor.

Definition at line 24 of file PDSS.cpp.

Referenced by PDSS::duplMyselfAsPDSS().

PDSS ( VPStandardStateTP tp,
size_t  spindex 
)

Constructor that initializes the object by examining the XML entries from the ThermoPhase object.

This function calls the constructPDSS member function.

Parameters
tpPointer to the ThermoPhase object pertaining to the phase
spindexSpecies index of the species in the phase

Definition at line 49 of file PDSS.cpp.

References PDSS::m_spthermo, PDSS::m_vpssmgr_ptr, VPStandardStateTP::provideVPSSMgr(), and ThermoPhase::speciesThermo().

PDSS ( const PDSS b)

Copy Constructor.

Parameters
bobject to be copied

Definition at line 80 of file PDSS.cpp.

~PDSS ( )
virtual

Destructor for the phase.

Definition at line 161 of file PDSS.cpp.

Member Function Documentation

PDSS & operator= ( const PDSS b)
PDSS * duplMyselfAsPDSS ( ) const
virtual

Duplication routine for objects which inherit from PDSS.

This function can be used to duplicate objects derived from PDSS even if the application only has a pointer to PDSS to work with.

Returns
A pointer to the base PDSS object type

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 165 of file PDSS.cpp.

References PDSS::PDSS().

Referenced by VPStandardStateTP::operator=().

PDSS_enumType reportPDSSType ( ) const

Returns the type of the standard state parameterization.

Returns
The integer # of the parameterization

Definition at line 170 of file PDSS.cpp.

References PDSS::m_pdssType.

Referenced by VPSSMgr_General::reportPDSSType().

void err ( const std::string &  msg) const
private
doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 217 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::enthalpy_RT(), and PDSS::enthalpyDelp_mole().

doublereal 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_SSVol, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 223 of file PDSS.cpp.

References PDSS::enthalpy_mole(), Cantera::GasConstant, and PDSS::m_temp.

Referenced by VPSSMgr_General::_updateStandardStateThermo().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 229 of file PDSS.cpp.

References PDSS::err().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 235 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::entropy_R(), and PDSS::entropyDelp_mole().

doublereal 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_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 241 of file PDSS.cpp.

References PDSS::entropy_mole(), and Cantera::GasConstant.

Referenced by VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_HKFT::entropy_R_ref().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 246 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::gibbs_RT(), and PDSS::gibbsDelp_mole().

doublereal 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_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 252 of file PDSS.cpp.

References Cantera::GasConstant, PDSS::gibbs_mole(), and PDSS::m_temp.

Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_HKFT::gibbs_RT_ref().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 258 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::cp_R(), and PDSS::cpDelp_mole().

doublereal 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_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 264 of file PDSS.cpp.

References PDSS::cp_mole(), and Cantera::GasConstant.

Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_HKFT::cp_R_ref().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 281 of file PDSS.cpp.

References PDSS::err().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 269 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateStandardStateThermo().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 275 of file PDSS.cpp.

References PDSS::err().

Referenced by HMWSoln::setState_TP().

doublereal enthalpyDelp_mole ( ) const
virtual

Get the difference in the standard state enthalpy between the current pressure and the reference pressure, p0.

Definition at line 318 of file PDSS.cpp.

References PDSS::enthalpy_mole(), PDSS::enthalpy_RT_ref(), Cantera::GasConstant, and PDSS::m_temp.

doublereal entropyDelp_mole ( ) const
virtual

Get the difference in the standard state entropy between the current pressure and the reference pressure, p0.

Definition at line 325 of file PDSS.cpp.

References PDSS::entropy_mole(), PDSS::entropy_R_ref(), and Cantera::GasConstant.

doublereal gibbsDelp_mole ( ) const
virtual

Get the difference in the standard state gibbs free energy between the current pressure and the reference pressure, p0.

Definition at line 332 of file PDSS.cpp.

References Cantera::GasConstant, PDSS::gibbs_mole(), PDSS::gibbs_RT_ref(), and PDSS::m_temp.

doublereal cpDelp_mole ( ) const
virtual

Get the difference in standard state heat capacity between the current pressure and the reference pressure, p0.

Definition at line 339 of file PDSS.cpp.

References PDSS::cp_mole(), PDSS::cp_R_ref(), and Cantera::GasConstant.

doublereal refPressure ( ) const
inline

Return the reference pressure for this phase.

Definition at line 365 of file PDSS.h.

References PDSS::m_p0.

Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::refPressure(), VPSSMgr::refPressure(), and STITbyPDSS::reportParameters().

doublereal minTemp ( ) const
inline

return the minimum temperature

Definition at line 370 of file PDSS.h.

References PDSS::m_minTemp.

Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::minTemp(), and VPSSMgr::minTemp().

doublereal maxTemp ( ) const
inline

return the minimum temperature

Definition at line 375 of file PDSS.h.

References PDSS::m_maxTemp.

Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::maxTemp(), and VPSSMgr::maxTemp().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 287 of file PDSS.cpp.

References PDSS::err().

Referenced by PDSS::gibbsDelp_mole().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 293 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::enthalpyDelp_mole(), VPSSMgr_General::getGibbs_ref(), and STITbyPDSS::updatePropertiesTemp().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 299 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::entropyDelp_mole(), VPSSMgr_General::getGibbs_ref(), and STITbyPDSS::updatePropertiesTemp().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 305 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::cpDelp_mole(), and STITbyPDSS::updatePropertiesTemp().

doublereal 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_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 311 of file PDSS.cpp.

References PDSS::err().

Referenced by VPSSMgr_General::_updateRefStateThermo().

doublereal pressure ( ) const
virtual

Returns the pressure (Pa)

Reimplemented in PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, and PDSS_IdealGas.

Definition at line 345 of file PDSS.cpp.

References PDSS::m_pres.

void setPressure ( doublereal  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 and to the VPSSMgr object.

Parameters
presPressure to be set (Pascal)

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 374 of file PDSS.cpp.

References PDSS::m_pres.

doublereal 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 350 of file PDSS.cpp.

void setTemperature ( doublereal  temp)
virtual

Set the internal temperature.

Parameters
tempTemperature (Kelvin)

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 384 of file PDSS.cpp.

References PDSS::m_temp.

Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), and STITbyPDSS::updatePropertiesTemp().

doublereal temperature ( ) const

Return the current stored temperature.

Definition at line 379 of file PDSS.cpp.

References PDSS::m_temp.

void setState_TP ( doublereal  temp,
doublereal  pres 
)
virtual
void setState_TR ( doublereal  temp,
doublereal  rho 
)
virtual

Set the internal temperature and density.

Parameters
tempTemperature (Kelvin)
rhoDensity (kg m-3)

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 403 of file PDSS.cpp.

References PDSS::err().

doublereal critTemperature ( ) const
virtual

critical temperature

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 356 of file PDSS.cpp.

References PDSS::err().

doublereal critPressure ( ) const
virtual

critical pressure

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 362 of file PDSS.cpp.

References PDSS::err().

doublereal critDensity ( ) const
virtual

critical density

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 368 of file PDSS.cpp.

References PDSS::err().

doublereal satPressure ( doublereal  T)
virtual

saturation pressure

Parameters
TTemperature (Kelvin)

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 408 of file PDSS.cpp.

References PDSS::err().

Referenced by HMWSoln::satPressure().

doublereal molecularWeight ( ) const

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

Definition at line 389 of file PDSS.cpp.

References PDSS::m_mw.

Referenced by DebyeHuckel::initThermoXML().

void setMolecularWeight ( doublereal  mw)

Set the molecular weight of the species.

Parameters
mwMolecular Weight in kg kmol-1

Definition at line 393 of file PDSS.cpp.

References PDSS::m_mw.

void initThermo ( )
virtual
void initThermoXML ( const XML_Node phaseNode,
const std::string &  id 
)
virtual

Initialization routine for the PDSS object based on the phaseNode.

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

Parameters
phaseNodeReference to the phase Information for the phase that owns this species.
idOptional parameter identifying the name of the phase. If none is given, the first XML phase element will be used.

Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.

Definition at line 175 of file PDSS.cpp.

References AssertThrow, PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_p0, PDSS::m_spindex, PDSS::m_tp, PDSS::m_vpssmgr_ptr, VPSSMgr::maxTemp(), VPSSMgr::minTemp(), and VPSSMgr::refPressure().

Referenced by PDSS_ConstVol::initThermoXML(), PDSS_IdealGas::initThermoXML(), PDSS_HKFT::initThermoXML(), PDSS_IonsFromNeutral::initThermoXML(), PDSS_Water::initThermoXML(), PDSS_SSVol::initThermoXML(), and VPStandardStateTP::initThermoXML().

void reportParams ( size_t &  kindex,
int &  type,
doublereal *const  c,
doublereal &  minTemp,
doublereal &  maxTemp,
doublereal &  refPressure 
) const
virtual

This utility function reports back the type of parameterization and all of the parameters for the species, index.

Parameters
kindexSpecies index
typeInteger type of the standard type
cVector of coefficients used to set the parameters for the standard state.
minTempoutput - Minimum temperature
maxTempoutput - Maximum temperature
refPressureoutput - reference pressure (Pa).
Deprecated:

Reimplemented in PDSS_HKFT.

Definition at line 419 of file PDSS.cpp.

References PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_p0, PDSS::m_pdssType, and PDSS::m_spindex.

Referenced by PDSS_HKFT::reportParams().

void initPtrs ( )
private
void initAllPtrs ( VPStandardStateTP vptp_ptr,
VPSSMgr vpssmgr_ptr,
SpeciesThermo spthermo_ptr 
)
virtual

Initialize or Reinitialize all shallow pointers in the object.

This command is called to reinitialize all shallow pointers in the object. It's needed for the duplicator capability

Parameters
vptp_ptrPointer to the Variable pressure ThermoPhase object This object must have already been malloced.
vpssmgr_ptrPointer to the variable pressure standard state calculator for this phase
spthermo_ptrPointer to the optional SpeciesThermo object that will handle the calculation of the reference state thermodynamic coefficients.

Reimplemented in PDSS_HKFT, and PDSS_IonsFromNeutral.

Definition at line 192 of file PDSS.cpp.

References PDSS::initPtrs(), PDSS::m_spthermo, PDSS::m_tp, and PDSS::m_vpssmgr_ptr.

Referenced by PDSS_IonsFromNeutral::initAllPtrs(), PDSS_HKFT::initAllPtrs(), and VPStandardStateTP::operator=().

Member Data Documentation

PDSS_enumType m_pdssType
protected
doublereal m_temp
mutableprotected

Current temperature used by the PDSS object.

Definition at line 573 of file PDSS.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_HKFT::cp_mole(), PDSS_HKFT::cp_R_ref(), PDSS_Water::cp_R_ref(), PDSS_HKFT::deltaG(), PDSS_HKFT::deltaH(), PDSS_HKFT::deltaS(), PDSS_IdealGas::density(), PDSS_IonsFromNeutral::density(), PDSS_Water::dthermalExpansionCoeffdT(), PDSS_ConstVol::enthalpy_mole(), PDSS_IdealGas::enthalpy_mole(), PDSS_IonsFromNeutral::enthalpy_mole(), PDSS_HKFT::enthalpy_mole(), PDSS_SSVol::enthalpy_mole(), PDSS_HKFT::enthalpy_RT(), PDSS::enthalpy_RT(), PDSS_HKFT::enthalpy_RT_ref(), PDSS_Water::enthalpy_RT_ref(), PDSS::enthalpyDelp_mole(), PDSS_HKFT::entropy_R_ref(), PDSS_Water::entropy_R_ref(), PDSS_ConstVol::gibbs_mole(), PDSS_IdealGas::gibbs_mole(), PDSS_IonsFromNeutral::gibbs_mole(), PDSS_Water::gibbs_mole(), PDSS_SSVol::gibbs_mole(), PDSS::gibbs_RT(), PDSS_HKFT::gibbs_RT_ref(), PDSS_Water::gibbs_RT_ref(), PDSS::gibbsDelp_mole(), PDSS_HKFT::initThermo(), PDSS_ConstVol::intEnergy_mole(), PDSS_IdealGas::intEnergy_mole(), PDSS_IonsFromNeutral::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_IdealGas::molarVolume(), PDSS_HKFT::molarVolume(), PDSS_IdealGas::molarVolume_ref(), PDSS_HKFT::molarVolume_ref(), PDSS_Water::molarVolume_ref(), PDSS::operator=(), PDSS_Water::satPressure(), PDSS_Water::setDensity(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_Water::setPressure(), PDSS_SSVol::setPressure(), PDSS_IonsFromNeutral::setState_TP(), PDSS_Water::setState_TP(), PDSS_Water::setState_TR(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), PDSS_IonsFromNeutral::setTemperature(), PDSS_HKFT::setTemperature(), PDSS_Water::setTemperature(), PDSS_SSVol::setTemperature(), PDSS::setTemperature(), and PDSS::temperature().

doublereal m_pres
mutableprotected
doublereal m_p0
protected
doublereal m_minTemp
protected
doublereal m_maxTemp
protected
VPStandardStateTP* m_tp
protected
VPSSMgr* m_vpssmgr_ptr
protected

Pointer to the VPSS manager for this object.

Definition at line 596 of file PDSS.h.

Referenced by PDSS::initAllPtrs(), PDSS::initPtrs(), PDSS::initThermo(), PDSS::initThermoXML(), PDSS::operator=(), and PDSS::PDSS().

doublereal m_mw
protected
size_t m_spindex
protected

Species index in the ThermoPhase corresponding to this species.

Definition at line 606 of file PDSS.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_ConstVol::constructPDSSXML(), PDSS_HKFT::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_HKFT::convertDGFormation(), PDSS_ConstVol::cp_mole(), PDSS_HKFT::cp_mole(), PDSS_SSVol::cp_mole(), PDSS_ConstVol::cp_R(), PDSS_IdealGas::cp_R(), PDSS_SSVol::cp_R(), PDSS_ConstVol::cp_R_ref(), PDSS_SSVol::cp_R_ref(), PDSS_ConstVol::cv_mole(), PDSS_SSVol::cv_mole(), PDSS_ConstVol::density(), PDSS_SSVol::density(), PDSS_HKFT::enthalpy_mole(), PDSS_ConstVol::enthalpy_RT(), PDSS_IdealGas::enthalpy_RT(), PDSS_SSVol::enthalpy_RT(), PDSS_ConstVol::enthalpy_RT_ref(), PDSS_IdealGas::enthalpy_RT_ref(), PDSS_SSVol::enthalpy_RT_ref(), PDSS_ConstVol::entropy_R(), PDSS_IdealGas::entropy_R(), PDSS_SSVol::entropy_R(), PDSS_ConstVol::entropy_R_ref(), PDSS_IdealGas::entropy_R_ref(), PDSS_SSVol::entropy_R_ref(), PDSS_ConstVol::gibbs_RT(), PDSS_IdealGas::gibbs_RT(), PDSS_SSVol::gibbs_RT(), PDSS_ConstVol::gibbs_RT_ref(), PDSS_IdealGas::gibbs_RT_ref(), PDSS_SSVol::gibbs_RT_ref(), PDSS_ConstVol::initThermo(), PDSS_HKFT::initThermo(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_SSVol::initThermo(), PDSS::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), PDSS_ConstVol::intEnergy_mole(), PDSS_IdealGas::intEnergy_mole(), PDSS_IonsFromNeutral::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_ConstVol::molarVolume(), PDSS_SSVol::molarVolume(), PDSS_ConstVol::molarVolume_ref(), PDSS_SSVol::molarVolume_ref(), PDSS::operator=(), PDSS::reportParams(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

SpeciesThermo* m_spthermo
protected

Pointer to the species thermodynamic property manager.

This is a copy of the pointer in the ThermoPhase object. Note, this object doesn't own the pointer. If the SpeciesThermo ThermoPhase object doesn't know or doesn't control the calculation, this will be set to zero.

Definition at line 615 of file PDSS.h.

Referenced by PDSS::initAllPtrs(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::operator=(), PDSS::PDSS(), PDSS_Water::PDSS_Water(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_h0_RT_ptr
protected
doublereal* m_cp0_R_ptr
protected

Reference state heat capacity divided by R.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and m_p0

Definition at line 629 of file PDSS.h.

Referenced by PDSS_IdealGas::cp_R(), PDSS_ConstVol::cp_R_ref(), PDSS_SSVol::cp_R_ref(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_s0_R_ptr
protected

Reference state entropy divided by R.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and m_p0

Definition at line 636 of file PDSS.h.

Referenced by PDSS_IdealGas::entropy_R(), PDSS_ConstVol::entropy_R_ref(), PDSS_IdealGas::entropy_R_ref(), PDSS_SSVol::entropy_R_ref(), PDSS::initPtrs(), PDSS::operator=(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_g0_RT_ptr
protected

Reference state Gibbs free energy divided by RT.

Calculated at the current value of T and m_p0

Definition at line 642 of file PDSS.h.

Referenced by PDSS_IdealGas::gibbs_RT(), PDSS_ConstVol::gibbs_RT_ref(), PDSS_IdealGas::gibbs_RT_ref(), PDSS_SSVol::gibbs_RT_ref(), PDSS::initPtrs(), PDSS::operator=(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_V0_ptr
protected

Reference state molar volume (m3 kg-1)

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and m_p0

Definition at line 649 of file PDSS.h.

Referenced by PDSS_ConstVol::cv_mole(), PDSS_SSVol::cv_mole(), PDSS::initPtrs(), PDSS_ConstVol::initThermo(), PDSS_SSVol::initThermo(), PDSS_ConstVol::molarVolume_ref(), PDSS_SSVol::molarVolume_ref(), PDSS::operator=(), and PDSS_IdealGas::setTemperature().

doublereal* m_hss_RT_ptr
protected

Standard state enthalpy divided by RT.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P.

Definition at line 656 of file PDSS.h.

Referenced by PDSS_ConstVol::enthalpy_RT(), PDSS_SSVol::enthalpy_RT(), PDSS::initPtrs(), PDSS::operator=(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_cpss_R_ptr
protected

Standard state heat capacity divided by R.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P.

Definition at line 663 of file PDSS.h.

Referenced by PDSS_ConstVol::cp_mole(), PDSS_SSVol::cp_mole(), PDSS_ConstVol::cp_R(), PDSS_SSVol::cp_R(), PDSS::initPtrs(), PDSS::operator=(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_sss_R_ptr
protected

Standard state entropy divided by R.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P.

Definition at line 670 of file PDSS.h.

Referenced by PDSS_ConstVol::entropy_R(), PDSS_SSVol::entropy_R(), PDSS::initPtrs(), PDSS::operator=(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_gss_RT_ptr
protected

Standard state Gibbs free energy divided by RT.

Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P.

Definition at line 677 of file PDSS.h.

Referenced by PDSS_ConstVol::gibbs_RT(), PDSS_SSVol::gibbs_RT(), PDSS::initPtrs(), PDSS::operator=(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().

doublereal* m_Vss_ptr
protected

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