Cantera  2.1.2
Private Attributes | List of all members

Class for pressure dependent standard states that uses a standard state volume model of some sort. More...

#include <PDSS_SSVol.h>

Inheritance diagram for PDSS_SSVol:
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Collaboration diagram for PDSS_SSVol:
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Public Member Functions

Constructors
 PDSS_SSVol (VPStandardStateTP *tp, size_t spindex)
 Constructor. More...
 
 PDSS_SSVol (VPStandardStateTP *tp, size_t spindex, const std::string &inputFile, const std::string &id="")
 Constructor that initializes the object by examining the input file of the ThermoPhase object. More...
 
 PDSS_SSVol (VPStandardStateTP *vptp_ptr, size_t spindex, const XML_Node &speciesNode, const XML_Node &phaseRef, bool spInstalled)
 Constructor that initializes the object by examining the input file of the ThermoPhase object. More...
 
 PDSS_SSVol (const PDSS_SSVol &b)
 Copy Constructur. More...
 
PDSS_SSVoloperator= (const PDSS_SSVol &b)
 Assignment operator. 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...
 
- Public Member Functions inherited from PDSS
 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 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...
 
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 pressure () const
 Returns the pressure (Pa) More...
 
virtual doublereal thermalExpansionCoeff () const
 Return the volumetric thermal expansion coefficient. Units: 1/K. More...
 
doublereal temperature () const
 Return the current stored temperature. 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...
 
PDSS_enumType reportPDSSType () const
 Returns the type of the standard state parameterization. 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...
 

Private Member Functions

Mechanical Equation of State Properties
virtual void setPressure (doublereal pres)
 Sets the pressure in the object. More...
 
virtual void setTemperature (doublereal temp)
 Set the internal 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...
 
Initialization of the Object
virtual void initThermo ()
 Initialization routine for all of the shallow pointers. More...
 
void constructPDSSFile (VPStandardStateTP *vptp_ptr, size_t spindex, const std::string &inputFile, const std::string &id)
 Initialization of a PDSS object using an input XML file. More...
 
void constructPDSSXML (VPStandardStateTP *vptp_ptr, size_t spindex, const XML_Node &speciesNode, const XML_Node &phaseNode, bool spInstalled)
 Initialization of a PDSS object using an xml tree. More...
 
virtual void initThermoXML (const XML_Node &phaseNode, const std::string &id)
 Initialization routine for the PDSS object based on the phaseNode. More...
 

Private Attributes

SSVolume_Model_enumType volumeModel_
 Enumerated data type describing the type of volume model used to calculate the standard state volume of the species. More...
 
doublereal m_constMolarVolume
 Value of the constant molar volume for the species. More...
 
vector_fp TCoeff_
 coefficients for the temperature representation More...
 
doublereal dVdT_
 Derivative of the volume wrt temperature. More...
 
doublereal d2VdT2_
 2nd derivative of the volume wrt temperature More...
 

Properties of the Reference State of the Species in the Solution

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...
 
void calcMolarVolume () const
 Does the internal calculation of the volume. More...
 

Additional Inherited Members

- Protected Attributes inherited from PDSS
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...
 

Detailed Description

Class for pressure dependent standard states that uses a standard state volume model of some sort.

Class PDSS_SSVol is an implementation class that compute the properties of a single species in a phase at its standard states, for a range of temperatures and pressures. This particular class assumes that the calculation of the thermodynamics functions can be separated into a temperature polynomial representation for thermo functions that can be handled bey a SimpleThermo object and a separate calculation for the standard state volume. The Models include a cubic polynomial in temperature for either the standard state volume or the standard state density. The manager uses a SimpleThermo object to handle the calculation of the reference state. This object then adds the pressure dependencies and the volume terms to these thermo functions to complete the representation.

The class includes the following models for the representation of the standard state volume:

Specification of Species Standard State Properties

The standard molar Gibbs free energy for species k is determined from the enthalpy and entropy expressions

\[ G^o_k(T,P) = H^o_k(T,P) - S^o_k(T,P) \]

The enthalpy is calculated mostly from the SpeciesThermo object's enthalpy evalulator. The dependence on pressure originates from the Maxwell relation

\[ {\left(\frac{dH^o_k}{dP}\right)}_T = T {\left(\frac{dS^o_k}{dP}\right)}_T + V^o_k \]

which is equal to

\[ {\left(\frac{dH^o_k}{dP}\right)}_T = V^o_k - T {\left(\frac{dV^o_k}{dT}\right)}_P \]

The entropy is calculated mostly from the SpeciesThermo objects entropy evalulator. The dependence on pressure originates from the Maxwell relation:

\[ {\left(\frac{dS^o_k}{dP}\right)}_T = - {\left(\frac{dV^o_k}{dT}\right)}_P \]

The standard state constant-pressure heat capacity expression is obtained from taking the temperature derivative of the Maxwell relation involving the enthalpy given above to yield an expression for the pressure dependence of the heat capacity.

\[ {\left(\frac{d{C}^o_{p,k}}{dP}\right)}_T = - T {\left(\frac{{d}^2{V}^o_k}{{dT}^2}\right)}_T \]

The standard molar Internal Energy for species k is determined from the following relation.

\[ U^o_k(T,P) = H^o_k(T,P) - p V^o_k \]

XML Example

An example of the specification of a standard state for the LiCl molten salt which employs a constant molar volume expression.

<speciesData id="species_MoltenSalt">
<species name="LiCl(L)">
<atomArray> Li:1 Cl:1 </atomArray>
<standardState model="constant_incompressible">
<molarVolume> 0.02048004 </molarVolume>
</standardState>
<thermo>
<Shomate Pref="1 bar" Tmax="2000.0" Tmin="700.0">
<floatArray size="7">
73.18025, -9.047232, -0.316390,
0.079587, 0.013594, -417.1314,
157.6711
</floatArray>
</Shomate>
</thermo>
</species>
</speciesData>

An example of the specification of a standard state for the LiCl molten salt which has a temperature dependent standard state volume.

<speciesData id="species_MoltenSalt">
<species name="LiCl(L)">
<atomArray> Li:1 Cl:1 </atomArray>
<standardState model="density_temperature_polynomial">
<densityTemperaturePolynomial units="gm/cm3" >
1.98715, -5.890906E-4, 0.0, 0.0
</densityTemperaturePolynomial>
</standardState>
<thermo>
<Shomate Pref="1 bar" Tmax="2000.0" Tmin="700.0">
<floatArray size="7">
73.18025, -9.047232, -0.316390,
0.079587, 0.013594, -417.1314,
157.6711
</floatArray>
</Shomate>
</thermo>
</species>
</speciesData>

Definition at line 159 of file PDSS_SSVol.h.

Constructor & Destructor Documentation

PDSS_SSVol ( VPStandardStateTP tp,
size_t  spindex 
)

Constructor.

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

Definition at line 25 of file PDSS_SSVol.cpp.

References PDSS::m_pdssType, and PDSS_SSVol::TCoeff_.

Referenced by PDSS_SSVol::duplMyselfAsPDSS().

PDSS_SSVol ( VPStandardStateTP tp,
size_t  spindex,
const std::string &  inputFile,
const std::string &  id = "" 
)

Constructor that initializes the object by examining the input file of the ThermoPhase object.

This function calls the constructPDSSFile member function.

Parameters
tpPointer to the ThermoPhase object pertaining to the phase
spindexSpecies index of the species in the phase
inputFileString name of the input file
idString name of the phase in the input file. The default is the empty string, in which case the first phase in the file is used.

Definition at line 36 of file PDSS_SSVol.cpp.

References PDSS_SSVol::constructPDSSFile(), and PDSS::m_pdssType.

PDSS_SSVol ( VPStandardStateTP vptp_ptr,
size_t  spindex,
const XML_Node speciesNode,
const XML_Node phaseRef,
bool  spInstalled 
)

Constructor that initializes the object by examining the input file of the ThermoPhase object.

This function calls the constructPDSSXML member function.

Parameters
vptp_ptrPointer to the ThermoPhase object pertaining to the phase
spindexSpecies index of the species in the phase
speciesNodeReference to the species XML tree.
phaseRefReference to the XML tree containing the phase information.
spInstalledBoolean indicating whether the species is installed yet or not.

Definition at line 47 of file PDSS_SSVol.cpp.

References PDSS_SSVol::constructPDSSXML(), and PDSS::m_pdssType.

PDSS_SSVol ( const PDSS_SSVol b)

Copy Constructur.

Parameters
bObject to be copied

Definition at line 59 of file PDSS_SSVol.cpp.

Member Function Documentation

PDSS_SSVol & operator= ( const PDSS_SSVol b)

Assignment operator.

Parameters
bObject to be copeid

Definition at line 71 of file PDSS_SSVol.cpp.

References PDSS_SSVol::m_constMolarVolume, PDSS::operator=(), PDSS_SSVol::TCoeff_, and PDSS_SSVol::volumeModel_.

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 from PDSS.

Definition at line 83 of file PDSS_SSVol.cpp.

References PDSS_SSVol::PDSS_SSVol().

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 from PDSS.

Definition at line 186 of file PDSS_SSVol.cpp.

References PDSS_SSVol::enthalpy_RT(), Cantera::GasConstant, and PDSS::m_temp.

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 from PDSS.

Definition at line 194 of file PDSS_SSVol.cpp.

References PDSS::m_hss_RT_ptr, and PDSS::m_spindex.

Referenced by PDSS_SSVol::enthalpy_mole().

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 from PDSS.

Definition at line 200 of file PDSS_SSVol.cpp.

References Cantera::GasConstant, PDSS::m_h0_RT_ptr, PDSS::m_pres, PDSS::m_spindex, PDSS::m_temp, and PDSS::m_Vss_ptr.

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 from PDSS.

Definition at line 209 of file PDSS_SSVol.cpp.

References PDSS_SSVol::entropy_R(), and Cantera::GasConstant.

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 from PDSS.

Definition at line 216 of file PDSS_SSVol.cpp.

References PDSS::m_spindex, and PDSS::m_sss_R_ptr.

Referenced by PDSS_SSVol::entropy_mole().

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 from PDSS.

Definition at line 222 of file PDSS_SSVol.cpp.

References Cantera::GasConstant, PDSS_SSVol::gibbs_RT(), and PDSS::m_temp.

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 from PDSS.

Definition at line 230 of file PDSS_SSVol.cpp.

References PDSS::m_gss_RT_ptr, and PDSS::m_spindex.

Referenced by PDSS_SSVol::gibbs_mole().

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 from PDSS.

Definition at line 236 of file PDSS_SSVol.cpp.

References Cantera::GasConstant, PDSS::m_cpss_R_ptr, and PDSS::m_spindex.

Referenced by PDSS_SSVol::cv_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 from PDSS.

Definition at line 243 of file PDSS_SSVol.cpp.

References PDSS::m_cpss_R_ptr, and PDSS::m_spindex.

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 from PDSS.

Definition at line 249 of file PDSS_SSVol.cpp.

References PDSS_SSVol::cp_mole(), PDSS::m_spindex, and PDSS::m_V0_ptr.

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 from PDSS.

Definition at line 255 of file PDSS_SSVol.cpp.

References PDSS::m_spindex, and PDSS::m_Vss_ptr.

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 from PDSS.

Definition at line 261 of file PDSS_SSVol.cpp.

References PDSS::m_mw, PDSS::m_spindex, and PDSS::m_Vss_ptr.

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 from PDSS.

Definition at line 268 of file PDSS_SSVol.cpp.

References PDSS::m_g0_RT_ptr, and PDSS::m_spindex.

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 from PDSS.

Definition at line 273 of file PDSS_SSVol.cpp.

References PDSS::m_h0_RT_ptr, and PDSS::m_spindex.

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 from PDSS.

Definition at line 278 of file PDSS_SSVol.cpp.

References PDSS::m_s0_R_ptr, and PDSS::m_spindex.

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 from PDSS.

Definition at line 283 of file PDSS_SSVol.cpp.

References PDSS::m_cp0_R_ptr, and PDSS::m_spindex.

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 from PDSS.

Definition at line 288 of file PDSS_SSVol.cpp.

References PDSS::m_spindex, and PDSS::m_V0_ptr.

void calcMolarVolume ( ) const
private
void setPressure ( doublereal  pres)
privatevirtual

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 from PDSS.

Definition at line 332 of file PDSS_SSVol.cpp.

References PDSS_SSVol::d2VdT2_, PDSS_SSVol::dVdT_, Cantera::GasConstant, PDSS::m_cp0_R_ptr, PDSS::m_cpss_R_ptr, PDSS::m_gss_RT_ptr, PDSS::m_h0_RT_ptr, PDSS::m_hss_RT_ptr, PDSS::m_p0, PDSS::m_pres, PDSS::m_s0_R_ptr, PDSS::m_spindex, PDSS::m_sss_R_ptr, PDSS::m_temp, and PDSS::m_Vss_ptr.

void setTemperature ( doublereal  temp)
privatevirtual
void setState_TP ( doublereal  temp,
doublereal  pres 
)
privatevirtual

Set the internal temperature and pressure.

Parameters
tempTemperature (Kelvin)
prespressure (Pascals)

Reimplemented from PDSS.

Definition at line 373 of file PDSS_SSVol.cpp.

References PDSS::m_pres, and PDSS_SSVol::setTemperature().

void setState_TR ( doublereal  temp,
doublereal  rho 
)
privatevirtual

Set the internal temperature and density.

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

Reimplemented from PDSS.

Definition at line 379 of file PDSS_SSVol.cpp.

References PDSS_SSVol::m_constMolarVolume, PDSS::m_mw, and PDSS_SSVol::setTemperature().

doublereal critTemperature ( ) const
privatevirtual

critical temperature

Reimplemented from PDSS.

Definition at line 314 of file PDSS_SSVol.cpp.

doublereal critPressure ( ) const
privatevirtual

critical pressure

Reimplemented from PDSS.

Definition at line 320 of file PDSS_SSVol.cpp.

doublereal critDensity ( ) const
privatevirtual

critical density

Reimplemented from PDSS.

Definition at line 326 of file PDSS_SSVol.cpp.

doublereal satPressure ( doublereal  T)
privatevirtual

saturation pressure

Parameters
TTemperature (Kelvin)

Reimplemented from PDSS.

Definition at line 389 of file PDSS_SSVol.cpp.

void initThermo ( )
privatevirtual

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 from PDSS.

Definition at line 176 of file PDSS_SSVol.cpp.

References PDSS::initThermo(), PDSS_SSVol::m_constMolarVolume, PDSS::m_p0, PDSS::m_spindex, PDSS::m_tp, PDSS::m_V0_ptr, PDSS::m_Vss_ptr, SpeciesThermo::refPressure(), and ThermoPhase::speciesThermo().

void constructPDSSFile ( VPStandardStateTP vptp_ptr,
size_t  spindex,
const std::string &  inputFile,
const std::string &  id 
)
private

Initialization of a PDSS object using an input XML file.

This routine is a precursor to constructPDSSXML(XML_Node*) routine, which does most of the work.

Parameters
vptp_ptrPointer to the Variable pressure ThermoPhase object This object must have already been malloced.
spindexSpecies index within the phase
inputFileXML file containing the description of the phase
idOptional parameter identifying the name of the phase. If none is given, the first XML phase element will be used.

Definition at line 130 of file PDSS_SSVol.cpp.

References XML_Node::build(), XML_Node::child(), PDSS_SSVol::constructPDSSXML(), XML_Node::findByAttr(), Cantera::findInputFile(), Cantera::findXMLPhase(), Cantera::get_XML_NameID(), XML_Node::root(), and Phase::speciesNames().

Referenced by PDSS_SSVol::PDSS_SSVol().

void constructPDSSXML ( VPStandardStateTP vptp_ptr,
size_t  spindex,
const XML_Node speciesNode,
const XML_Node phaseNode,
bool  spInstalled 
)
private

Initialization of a PDSS object using an xml tree.

This routine is a driver for the initialization of the object.

basic logic:

  • initThermo() (cascade)
  • getStuff from species Part of XML file
  • initThermoXML(phaseNode) (cascade)
Parameters
vptp_ptrPointer to the Variable pressure ThermoPhase object This object must have already been malloced.
spindexSpecies index within the phase
speciesNodeXML Node containing the species information
phaseNodeReference to the phase Information for the phase that owns this species.
spInstalledBoolean indicating whether the species is already installed.

Definition at line 88 of file PDSS_SSVol.cpp.

References Cantera::cSSVOLUME_CONSTANT, Cantera::cSSVOLUME_DENSITY_TPOLY, Cantera::cSSVOLUME_TPOLY, XML_Node::findByName(), ctml::getFloat(), ctml::getFloatArray(), PDSS::initThermo(), PDSS_SSVol::m_constMolarVolume, PDSS::m_p0, PDSS::m_spindex, PDSS::m_tp, XML_Node::name(), SpeciesThermo::refPressure(), ThermoPhase::speciesThermo(), PDSS_SSVol::TCoeff_, and PDSS_SSVol::volumeModel_.

Referenced by PDSS_SSVol::constructPDSSFile(), and PDSS_SSVol::PDSS_SSVol().

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

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 from PDSS.

Definition at line 167 of file PDSS_SSVol.cpp.

References PDSS::initThermoXML(), PDSS::m_maxTemp, PDSS::m_minTemp, PDSS::m_mw, PDSS::m_p0, PDSS::m_spindex, PDSS::m_spthermo, PDSS::m_tp, SpeciesThermo::maxTemp(), SpeciesThermo::minTemp(), Phase::molecularWeight(), and SpeciesThermo::refPressure().

Member Data Documentation

SSVolume_Model_enumType volumeModel_
private

Enumerated data type describing the type of volume model used to calculate the standard state volume of the species.

Definition at line 324 of file PDSS_SSVol.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_SSVol::constructPDSSXML(), and PDSS_SSVol::operator=().

doublereal m_constMolarVolume
private

Value of the constant molar volume for the species.

m3 / kmol

Definition at line 330 of file PDSS_SSVol.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_SSVol::constructPDSSXML(), PDSS_SSVol::initThermo(), PDSS_SSVol::operator=(), and PDSS_SSVol::setState_TR().

vector_fp TCoeff_
private

coefficients for the temperature representation

Definition at line 333 of file PDSS_SSVol.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_SSVol::constructPDSSXML(), PDSS_SSVol::operator=(), and PDSS_SSVol::PDSS_SSVol().

doublereal dVdT_
mutableprivate

Derivative of the volume wrt temperature.

Definition at line 336 of file PDSS_SSVol.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_SSVol::setPressure(), and PDSS_SSVol::setTemperature().

doublereal d2VdT2_
mutableprivate

2nd derivative of the volume wrt temperature

Definition at line 339 of file PDSS_SSVol.h.

Referenced by PDSS_SSVol::calcMolarVolume(), PDSS_SSVol::setPressure(), and PDSS_SSVol::setTemperature().


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