Cantera
2.3.0
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Virtual base class for a species with a pressure dependent standard state. More...
#include <PDSS.h>
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) | |
PDSS & | operator= (const PDSS &b) |
virtual | ~PDSS () |
virtual PDSS * | duplMyselfAsPDSS () const |
Duplication routine for objects which inherit from PDSS. More... | |
Utilities | |
PDSS_enumType | reportPDSSType () const |
Returns the type of the standard state parameterization. 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... | |
virtual 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... | |
VPStandardStateTP * | m_tp |
ThermoPhase which this species belongs to. More... | |
VPSSMgr * | m_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... | |
MultiSpeciesThermo * | m_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... | |
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, MultiSpeciesThermo *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... | |
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 MultiSpeciesThermo 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.
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 MultiSpeciesThermo 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 MultiSpeciesThermo resources.
However, in many other respects they can be thread safe. They use separate memory and hold intermediate data.
PDSS | ( | ) |
PDSS | ( | VPStandardStateTP * | tp, |
size_t | spindex | ||
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Constructor that initializes the object by examining the XML entries from the ThermoPhase object.
This function calls the constructPDSS member function.
tp | Pointer to the ThermoPhase object pertaining to the phase |
spindex | Species index of the species in the phase |
Definition at line 42 of file PDSS.cpp.
References PDSS::m_spthermo, PDSS::m_vpssmgr_ptr, VPStandardStateTP::provideVPSSMgr(), and ThermoPhase::speciesThermo().
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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.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 154 of file PDSS.cpp.
References PDSS::PDSS(), and Cantera::warn_deprecated().
PDSS_enumType reportPDSSType | ( | ) | const |
Returns the type of the standard state parameterization.
Definition at line 161 of file PDSS.cpp.
References PDSS::m_pdssType, and Cantera::warn_deprecated().
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Return the molar enthalpy in units of J kmol-1.
Reimplemented in PDSS_Nondimensional, PDSS_Water, and PDSS_HKFT.
Definition at line 211 of file PDSS.cpp.
Referenced by PDSS_Molar::enthalpy_RT(), and PDSS::enthalpyDelp_mole().
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Return the standard state molar enthalpy divided by RT.
Reimplemented in PDSS_Molar, PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 216 of file PDSS.cpp.
Referenced by VPSSMgr_General::_updateStandardStateThermo(), and PDSS_Nondimensional::enthalpy_mole().
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Return the molar internal Energy in units of J kmol-1.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_HKFT, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.
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Return the molar entropy in units of J kmol-1 K-1.
Reimplemented in PDSS_Nondimensional, PDSS_Water, and PDSS_HKFT.
Definition at line 226 of file PDSS.cpp.
Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), PDSS_Molar::entropy_R(), and PDSS::entropyDelp_mole().
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Return the standard state entropy divided by RT.
Reimplemented in PDSS_Molar, PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 231 of file PDSS.cpp.
Referenced by VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_Nondimensional::entropy_mole().
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Return the molar Gibbs free energy in units of J kmol-1.
Reimplemented in PDSS_Nondimensional, PDSS_Water, and PDSS_HKFT.
Definition at line 236 of file PDSS.cpp.
Referenced by PDSS_Molar::gibbs_RT(), and PDSS::gibbsDelp_mole().
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Return the molar Gibbs free energy divided by RT.
Reimplemented in PDSS_Molar, PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 241 of file PDSS.cpp.
Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_Nondimensional::gibbs_mole().
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Return the molar const pressure heat capacity in units of J kmol-1 K-1.
Reimplemented in PDSS_Nondimensional, PDSS_Water, and PDSS_HKFT.
Definition at line 246 of file PDSS.cpp.
Referenced by PDSS_Molar::cp_R(), and PDSS::cpDelp_mole().
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Return the molar const pressure heat capacity divided by RT.
Reimplemented in PDSS_Molar, PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 251 of file PDSS.cpp.
Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), and PDSS_Nondimensional::cp_mole().
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Return the molar const volume heat capacity in units of J kmol-1 K-1.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.
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Return the molar volume at standard state.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 256 of file PDSS.cpp.
Referenced by VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), and VPSSMgr_Water_HKFT::_updateStandardStateThermo().
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Return the standard state density at standard state.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 261 of file PDSS.cpp.
Referenced by HMWSoln::calcDensity().
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Get the difference in the standard state enthalpy between the current pressure and the reference pressure, p0.
Definition at line 296 of file PDSS.cpp.
References PDSS::enthalpy_mole(), PDSS::enthalpy_RT_ref(), Cantera::GasConstant, and PDSS::m_temp.
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Get the difference in the standard state entropy between the current pressure and the reference pressure, p0.
Definition at line 301 of file PDSS.cpp.
References PDSS::entropy_mole(), PDSS::entropy_R_ref(), and Cantera::GasConstant.
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Get the difference in the standard state Gibbs free energy between the current pressure and the reference pressure, p0.
Definition at line 306 of file PDSS.cpp.
References Cantera::GasConstant, PDSS::gibbs_mole(), PDSS::gibbs_RT_ref(), and PDSS::m_temp.
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Get the difference in standard state heat capacity between the current pressure and the reference pressure, p0.
Definition at line 311 of file PDSS.cpp.
References PDSS::cp_mole(), PDSS::cp_R_ref(), and Cantera::GasConstant.
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Return the reference pressure for this phase.
Definition at line 335 of file PDSS.h.
References PDSS::m_p0.
Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::refPressure(), and VPSSMgr::refPressure().
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return the minimum temperature
Definition at line 340 of file PDSS.h.
References PDSS::m_minTemp.
Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::minTemp(), and VPSSMgr::minTemp().
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return the minimum temperature
Definition at line 345 of file PDSS.h.
References PDSS::m_maxTemp.
Referenced by VPSSMgr_General::createInstallPDSS(), VPSSMgr::initThermoXML(), STITbyPDSS::maxTemp(), and VPSSMgr::maxTemp().
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Return the molar Gibbs free energy divided by RT at reference pressure.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 271 of file PDSS.cpp.
Referenced by PDSS::gibbsDelp_mole().
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Return the molar enthalpy divided by RT at reference pressure.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 276 of file PDSS.cpp.
Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::enthalpyDelp_mole(), VPSSMgr_General::getGibbs_ref(), and STITbyPDSS::updatePropertiesTemp().
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Return the molar entropy divided by R at reference pressure.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 281 of file PDSS.cpp.
Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::entropyDelp_mole(), VPSSMgr_General::getGibbs_ref(), and STITbyPDSS::updatePropertiesTemp().
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Return the molar heat capacity divided by R at reference pressure.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 286 of file PDSS.cpp.
Referenced by VPSSMgr_General::_updateRefStateThermo(), PDSS::cpDelp_mole(), and STITbyPDSS::updatePropertiesTemp().
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Return the molar volume at reference pressure.
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 291 of file PDSS.cpp.
Referenced by VPSSMgr_General::_updateRefStateThermo().
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Returns the pressure (Pa)
Reimplemented in PDSS_Water, and PDSS_IdealGas.
Definition at line 316 of file PDSS.cpp.
References PDSS::m_pres.
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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.
pres | Pressure to be set (Pascal) |
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 341 of file PDSS.cpp.
References PDSS::m_pres.
Referenced by PDSS_HKFT::setState_TP().
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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.
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Set the internal temperature.
temp | Temperature (Kelvin) |
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 351 of file PDSS.cpp.
References PDSS::m_temp.
Referenced by VPSSMgr_Water_ConstVol::_updateRefStateThermo(), PDSS_HKFT::setState_TP(), and STITbyPDSS::updatePropertiesTemp().
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Return the current stored temperature.
Reimplemented in PDSS_IonsFromNeutral, and PDSS_IdealGas.
Definition at line 346 of file PDSS.cpp.
References PDSS::m_temp.
Referenced by PDSS_Nondimensional::enthalpy_mole(), PDSS_Molar::enthalpy_RT(), PDSS_Nondimensional::gibbs_mole(), and PDSS_Molar::gibbs_RT().
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Set the internal temperature and pressure.
temp | Temperature (Kelvin) |
pres | pressure (Pascals) |
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_HKFT, PDSS_IdealGas, and PDSS_ConstVol.
Definition at line 365 of file PDSS.cpp.
Referenced by VPSSMgr_General::_updateRefStateThermo(), VPSSMgr_Water_HKFT::_updateRefStateThermo(), VPSSMgr_Water_ConstVol::_updateStandardStateThermo(), VPSSMgr_General::_updateStandardStateThermo(), VPSSMgr_Water_HKFT::_updateStandardStateThermo(), VPSSMgr::_updateStandardStateThermo(), VPSSMgr_General::getGibbs_ref(), and HMWSoln::satPressure().
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Set the internal temperature and density.
temp | Temperature (Kelvin) |
rho | Density (kg m-3) |
Reimplemented in PDSS_SSVol, PDSS_Water, PDSS_IonsFromNeutral, PDSS_IdealGas, and PDSS_ConstVol.
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saturation pressure
T | Temperature (Kelvin) |
Reimplemented in PDSS_SSVol, PDSS_Water, and PDSS_ConstVol.
Definition at line 375 of file PDSS.cpp.
Referenced by HMWSoln::satPressure().
doublereal molecularWeight | ( | ) | const |
Return the molecular weight of the species in units of kg kmol-1.
Definition at line 356 of file PDSS.cpp.
References PDSS::m_mw.
void setMolecularWeight | ( | doublereal | mw | ) |
Set the molecular weight of the species.
mw | Molecular Weight in kg kmol-1 |
Definition at line 360 of file PDSS.cpp.
References PDSS::m_mw.
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Initialization routine for all of the shallow pointers.
This is a cascading call, where each level should call the the parent level.
The initThermo() routines get called before the initThermoXML() routines from the constructPDSSXML() routine.
Calls initPtrs();
Reimplemented in PDSS_SSVol, PDSS_IonsFromNeutral, PDSS_IdealGas, PDSS_HKFT, and PDSS_ConstVol.
Definition at line 175 of file PDSS.cpp.
References AssertThrow, PDSS::initPtrs(), VPSSMgr::initThermo(), PDSS::m_mw, PDSS::m_spindex, PDSS::m_tp, PDSS::m_vpssmgr_ptr, Phase::molecularWeight(), and VPStandardStateTP::provideVPSSMgr().
Referenced by PDSS_ConstVol::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_ConstVol::initThermo(), PDSS_HKFT::initThermo(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), VPStandardStateTP::initThermo(), and PDSS_SSVol::initThermo().
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Initialization routine for the PDSS object based on the phaseNode.
This is a cascading call, where each level should call the the parent level.
phaseNode | Reference to the phase Information for the phase that owns this species. |
id | Optional parameter identifying the name of the phase. If none is given, the first XML phase element will be used. |
Reimplemented in PDSS_SSVol, and PDSS_ConstVol.
Definition at line 167 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(), VPStandardStateTP::initThermoXML(), and PDSS_SSVol::initThermoXML().
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This utility function reports back the type of parameterization and all of the parameters for the species, index.
kindex | Species index |
type | Integer type of the standard type |
c | Vector of coefficients used to set the parameters for the standard state. |
minTemp | output - Minimum temperature |
maxTemp | output - Maximum temperature |
refPressure | output - reference pressure (Pa). |
Reimplemented in PDSS_HKFT.
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Initialize all of the internal shallow pointers that can be initialized.
This routine isn't virtual. It's only applicable for the current class
Definition at line 195 of file PDSS.cpp.
References AssertThrow, PDSS::m_cp0_R_ptr, PDSS::m_cpss_R_ptr, PDSS::m_g0_RT_ptr, PDSS::m_gss_RT_ptr, PDSS::m_h0_RT_ptr, PDSS::m_hss_RT_ptr, PDSS::m_s0_R_ptr, PDSS::m_sss_R_ptr, PDSS::m_V0_ptr, PDSS::m_vpssmgr_ptr, PDSS::m_Vss_ptr, VPSSMgr::mPDSS_cp0_R, VPSSMgr::mPDSS_cpss_R, VPSSMgr::mPDSS_g0_RT, VPSSMgr::mPDSS_gss_RT, VPSSMgr::mPDSS_h0_RT, VPSSMgr::mPDSS_hss_RT, VPSSMgr::mPDSS_s0_R, VPSSMgr::mPDSS_sss_R, VPSSMgr::mPDSS_V0, and VPSSMgr::mPDSS_Vss.
Referenced by PDSS::initAllPtrs(), and PDSS::initThermo().
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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
vptp_ptr | Pointer to the Variable pressure ThermoPhase object |
vpssmgr_ptr | Pointer to the variable pressure standard state calculator for this phase |
spthermo_ptr | Pointer to the optional MultiSpeciesThermo object that will handle the calculation of the reference state thermodynamic coefficients. |
Reimplemented in PDSS_HKFT, and PDSS_IonsFromNeutral.
Definition at line 184 of file PDSS.cpp.
References PDSS::initPtrs(), PDSS::m_spthermo, PDSS::m_tp, PDSS::m_vpssmgr_ptr, and Cantera::warn_deprecated().
Referenced by PDSS_IonsFromNeutral::initAllPtrs(), and PDSS_HKFT::initAllPtrs().
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Enumerated type describing the type of the PDSS object.
Definition at line 538 of file PDSS.h.
Referenced by PDSS_ConstVol::PDSS_ConstVol(), PDSS_HKFT::PDSS_HKFT(), PDSS_IdealGas::PDSS_IdealGas(), PDSS_IonsFromNeutral::PDSS_IonsFromNeutral(), PDSS_SSVol::PDSS_SSVol(), and PDSS::reportPDSSType().
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Current temperature used by the PDSS object.
Definition at line 541 of file PDSS.h.
Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_HKFT::cp_mole(), PDSS_HKFT::cp_R_ref(), PDSS_HKFT::deltaG(), PDSS_HKFT::deltaH(), PDSS_HKFT::deltaS(), PDSS_IdealGas::density(), PDSS_IonsFromNeutral::density(), PDSS_Water::dthermalExpansionCoeffdT(), PDSS_HKFT::enthalpy_mole(), PDSS_HKFT::enthalpy_RT_ref(), PDSS::enthalpyDelp_mole(), PDSS_HKFT::entropy_R_ref(), PDSS_Water::gibbs_mole(), PDSS_HKFT::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::setDensity(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_IonsFromNeutral::setState_TP(), PDSS_Water::setState_TP(), PDSS_Water::setState_TR(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), PDSS_IonsFromNeutral::setTemperature(), PDSS_Water::setTemperature(), PDSS_SSVol::setTemperature(), PDSS::setTemperature(), PDSS_IdealGas::temperature(), PDSS_IonsFromNeutral::temperature(), and PDSS::temperature().
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State of the system - pressure.
Definition at line 544 of file PDSS.h.
Referenced by PDSS_HKFT::cp_mole(), PDSS_HKFT::cp_R_ref(), PDSS_HKFT::deltaG(), PDSS_HKFT::deltaH(), PDSS_HKFT::deltaS(), PDSS_IdealGas::density(), PDSS_IonsFromNeutral::density(), PDSS_HKFT::enthalpy_RT_ref(), PDSS_IdealGas::entropy_R(), PDSS_HKFT::entropy_R_ref(), PDSS_IdealGas::gibbs_RT(), PDSS_HKFT::gibbs_RT_ref(), PDSS_HKFT::initThermo(), PDSS_ConstVol::intEnergy_mole(), PDSS_HKFT::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_IdealGas::molarVolume(), PDSS_HKFT::molarVolume(), PDSS_HKFT::molarVolume_ref(), PDSS_HKFT::PDSS_HKFT(), PDSS_Water::pressure(), PDSS::pressure(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS::setPressure(), PDSS_IdealGas::setState_TP(), PDSS_IonsFromNeutral::setState_TP(), PDSS_SSVol::setState_TP(), PDSS_IdealGas::setState_TR(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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Reference state pressure of the species.
Definition at line 547 of file PDSS.h.
Referenced by PDSS_ConstVol::constructPDSSXML(), PDSS_HKFT::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_IdealGas::entropy_R(), PDSS_IdealGas::gibbs_RT(), PDSS_ConstVol::initThermo(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_SSVol::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), PDSS_IdealGas::molarVolume_ref(), PDSS::refPressure(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_SSVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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Minimum temperature.
Definition at line 550 of file PDSS.h.
Referenced by PDSS_HKFT::constructPDSSXML(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), and PDSS::minTemp().
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Maximum temperature.
Definition at line 553 of file PDSS.h.
Referenced by PDSS_HKFT::constructPDSSXML(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::initThermoXML(), and PDSS::maxTemp().
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ThermoPhase which this species belongs to.
Note, in some applications (i.e., mostly testing applications, this may be a null value. Applications should test whether this is null before usage.
Definition at line 561 of file PDSS.h.
Referenced by PDSS_ConstVol::constructPDSSXML(), PDSS_HKFT::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_HKFT::convertDGFormation(), PDSS_HKFT::initAllPtrs(), PDSS::initAllPtrs(), 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(), and PDSS_HKFT::LookupGe().
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Pointer to the VPSS manager for this object.
Definition at line 564 of file PDSS.h.
Referenced by PDSS::initAllPtrs(), PDSS::initPtrs(), PDSS::initThermo(), PDSS::initThermoXML(), PDSS::PDSS(), PDSS_IdealGas::temperature(), and PDSS_IonsFromNeutral::temperature().
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Molecular Weight of the species.
Definition at line 567 of file PDSS.h.
Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_Water::constructSet(), PDSS_ConstVol::density(), PDSS_IdealGas::density(), PDSS_HKFT::density(), PDSS_IonsFromNeutral::density(), PDSS_SSVol::density(), PDSS::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::molecularWeight(), PDSS::setMolecularWeight(), PDSS_ConstVol::setState_TR(), PDSS_IdealGas::setState_TR(), and PDSS_SSVol::setState_TR().
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Species index in the ThermoPhase corresponding to this species.
Definition at line 570 of file PDSS.h.
Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_ConstVol::constructPDSSXML(), PDSS_HKFT::constructPDSSXML(), PDSS_SSVol::constructPDSSXML(), PDSS_HKFT::convertDGFormation(), 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_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_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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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 MultiSpeciesThermo object doesn't know or doesn't control the calculation, this will be set to zero.
Definition at line 579 of file PDSS.h.
Referenced by PDSS::initAllPtrs(), PDSS_IdealGas::initThermo(), PDSS_IonsFromNeutral::initThermo(), PDSS_ConstVol::initThermoXML(), PDSS_SSVol::initThermoXML(), PDSS::PDSS(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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Reference state enthalpy divided by RT.
Storage for the thermo properties is provided by VPSSMgr. This object owns a shallow pointer. Calculated at the current value of T and m_p0
Definition at line 586 of file PDSS.h.
Referenced by PDSS_IdealGas::enthalpy_RT(), PDSS_ConstVol::enthalpy_RT_ref(), PDSS_IdealGas::enthalpy_RT_ref(), PDSS_SSVol::enthalpy_RT_ref(), PDSS::initPtrs(), PDSS_ConstVol::intEnergy_mole(), PDSS_IdealGas::intEnergy_mole(), PDSS_IonsFromNeutral::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_ConstVol::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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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 593 of file PDSS.h.
Referenced by PDSS_IdealGas::cp_R(), PDSS_ConstVol::cp_R_ref(), PDSS_SSVol::cp_R_ref(), PDSS::initPtrs(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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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 600 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_IdealGas::setPressure(), PDSS_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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Reference state Gibbs free energy divided by RT.
Calculated at the current value of T and m_p0
Definition at line 606 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_ConstVol::setTemperature(), PDSS_IdealGas::setTemperature(), and PDSS_SSVol::setTemperature().
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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 613 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(), and PDSS_IdealGas::setTemperature().
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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 620 of file PDSS.h.
Referenced by PDSS_ConstVol::enthalpy_RT(), PDSS_SSVol::enthalpy_RT(), PDSS::initPtrs(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_ConstVol::setTemperature(), and PDSS_IdealGas::setTemperature().
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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 627 of file PDSS.h.
Referenced by PDSS_ConstVol::cp_R(), PDSS_SSVol::cp_R(), PDSS::initPtrs(), PDSS_ConstVol::setTemperature(), and PDSS_IdealGas::setTemperature().
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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 634 of file PDSS.h.
Referenced by PDSS_ConstVol::entropy_R(), PDSS_SSVol::entropy_R(), PDSS::initPtrs(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_ConstVol::setTemperature(), and PDSS_IdealGas::setTemperature().
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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 641 of file PDSS.h.
Referenced by PDSS_ConstVol::gibbs_RT(), PDSS_SSVol::gibbs_RT(), PDSS::initPtrs(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_ConstVol::setTemperature(), and PDSS_IdealGas::setTemperature().
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Standard State molar volume (m3 kg-1)
Storage for the thermo properties is provided by VPSSMgr. Calculated at the current value of T and P.
Definition at line 648 of file PDSS.h.
Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_ConstVol::density(), PDSS_SSVol::density(), PDSS::initPtrs(), PDSS_ConstVol::initThermo(), PDSS_SSVol::initThermo(), PDSS_ConstVol::intEnergy_mole(), PDSS_SSVol::intEnergy_mole(), PDSS_ConstVol::molarVolume(), PDSS_SSVol::molarVolume(), PDSS_ConstVol::setPressure(), PDSS_IdealGas::setPressure(), PDSS_ConstVol::setTemperature(), and PDSS_IdealGas::setTemperature().