Cantera  2.2.1
VPSSMgr_IdealGas Class Reference

A VPSSMgr where all species in the phase obey an ideal gas equation of state. More...

#include <VPSSMgr_IdealGas.h>

Inheritance diagram for VPSSMgr_IdealGas:
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Collaboration diagram for VPSSMgr_IdealGas:
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## Public Member Functions

VPSSMgr_IdealGas (VPStandardStateTP *vp_ptr, SpeciesThermo *spth)
Basic constructor that initializes the object. More...

VPSSMgr_IdealGas (const VPSSMgr_IdealGas &right)
Copy Constructor. More...

VPSSMgr_IdealGasoperator= (const VPSSMgr_IdealGas &right)
Assignment operator. More...

virtual VPSSMgrduplMyselfAsVPSSMgr () const
Duplication routine for objects which derive from VPSSMgr. More...

virtual PDSScreateInstallPDSS (size_t k, const XML_Node &speciesNode, const XML_Node *const phaseNode_ptr)
Create and install an ideal gas standard state manager for one species within this object. More...

virtual PDSS_enumType reportPDSSType (int index=-1) const
This utility function reports the type of parameterization used for the species with index number index. More...

virtual VPSSMgr_enumType reportVPSSMgrType () const
This utility function reports the type of manager for the calculation of ss properties. More...

Properties of the Standard State of the Species in the Solution

Within VPStandardStateTP, these properties are calculated via a common routine, _updateStandardStateThermo(), which must be overloaded in inherited objects. The values are cached within this object, and are not recalculated unless the temperature or pressure changes.

virtual void getIntEnergy_RT (doublereal *urt) const
Returns the vector of nondimensional internal Energies of the standard state at the current temperature and pressure of the solution for each species. More...

virtual void getStandardVolumes (doublereal *vol) const
Get the molar volumes of each species in their standard states at the current T and P of the solution. More...

Initialization Methods - For Internal use

The following methods are used in the process of constructing the phase and setting its parameters from a specification in an input file. They are not normally used in application programs. To see how they are used, see importPhase().

virtual void initThermoXML (XML_Node &phaseNode, const std::string &id)
Finalize the thermo after all species have been entered. More...

Public Member Functions inherited from VPSSMgr
VPSSMgr (VPStandardStateTP *vptp_ptr, SpeciesThermo *spth=0)
Constructor. More...

virtual ~VPSSMgr ()
Destructor. More...

VPSSMgr (const VPSSMgr &right)
Copy Constructor. More...

VPSSMgroperator= (const VPSSMgr &right)
Assignment operator. More...

virtual void getStandardChemPotentials (doublereal *mu) const
Get the array of chemical potentials at unit activity. More...

virtual void getGibbs_RT (doublereal *grt) const
Get the nondimensional Gibbs functions for the species at their standard states of solution at the current T and P of the solution. More...

virtual void getEnthalpy_RT (doublereal *hrt) const
Get the nondimensional Enthalpy functions for the species at their standard states at the current T and P of the solution. More...

const vector_fpenthalpy_RT () const
Return a reference to a vector of the molar enthalpies of the species in their standard states. More...

virtual void getEntropy_R (doublereal *sr) const
Get the array of nondimensional Enthalpy functions for the standard state species at the current T and P of the solution. More...

const vector_fpentropy_R () const
Return a reference to a vector of the entropies of the species. More...

virtual void getCp_R (doublereal *cpr) const
Get the nondimensional Heat Capacities at constant pressure for the standard state of the species at the current T and P. More...

const vector_fpcp_R () const
Return a reference to a vector of the constant pressure heat capacities of the species. More...

virtual const vector_fpgetStandardVolumes () const

const vector_fpstandardVolumes () const
Return a reference to a vector of the species standard molar volumes. More...

virtual void getEnthalpy_RT_ref (doublereal *hrt) const

virtual void getGibbs_RT_ref (doublereal *grt) const

const vector_fpGibbs_RT_ref () const
Return a reference to the vector of Gibbs free energies of the species. More...

virtual void getGibbs_ref (doublereal *g) const

virtual void getEntropy_R_ref (doublereal *er) const

virtual void getCp_R_ref (doublereal *cpr) const

virtual void getStandardVolumes_ref (doublereal *vol) const
Get the molar volumes of the species reference states at the current T and P_ref of the solution. More...

virtual doublereal minTemp (size_t k=npos) const
Minimum temperature. More...

virtual doublereal maxTemp (size_t k=npos) const
Maximum temperature. More...

virtual doublereal refPressure (size_t k=npos) const
The reference-state pressure for the standard state. More...

virtual void initThermo ()

void initLengths ()
Initialize the lengths within the object. More...

void installSTSpecies (size_t k, const XML_Node &speciesNode, const XML_Node *phaseNode_ptr)
Install specific content for species k in the reference-state thermodynamic SpeciesManager object. More...

virtual void initAllPtrs (VPStandardStateTP *vp_ptr, SpeciesThermo *sp_ptr)
Initialize the internal shallow pointers in this object. More...

virtual void setState_TP (doublereal T, doublereal P)
Set the temperature (K) and pressure (Pa) More...

virtual void setState_T (doublereal T)
Set the temperature (K) More...

virtual void setState_P (doublereal P)
Set the pressure (Pa) More...

doublereal temperature () const
Return the temperature stored in the object. More...

doublereal pressure () const
Return the pressure stored in the object. More...

SpeciesThermoSpeciesThermoMgr ()
Return the pointer to the reference-state Thermo calculator SpeciesThermo object. More...

Updates the internal standard state thermodynamic vectors at the current T and P of the solution. More...

virtual void updateRefStateThermo () const
Updates the internal reference state thermodynamic vectors at the current T of the solution and the reference pressure. More...

## Protected Member Functions

Updates the standard state thermodynamic functions at the current T and P of the solution. More...

Protected Member Functions inherited from VPSSMgr
virtual void _updateRefStateThermo () const
Updates the reference state thermodynamic functions at the current T of the solution and the reference pressure. More...

Protected Attributes inherited from VPSSMgr
size_t m_kk
Number of species in the phase. More...

VPStandardStateTPm_vptp_ptr
Variable pressure ThermoPhase object. More...

SpeciesThermom_spthermo
Pointer to reference state thermo calculator. More...

doublereal m_tlast
The last temperature at which the standard state thermodynamic properties were calculated at. More...

doublereal m_plast
The last pressure at which the Standard State thermodynamic properties were calculated at. More...

doublereal m_p0

doublereal m_minTemp
minimum temperature for the standard state calculations More...

doublereal m_maxTemp
maximum temperature for the standard state calculations More...

bool m_useTmpRefStateStorage

vector_fp m_h0_RT

vector_fp m_cp0_R
Vector containing the species reference constant pressure heat capacities at T = m_tlast and P = p_ref. More...

vector_fp m_g0_RT
Vector containing the species reference Gibbs functions at T = m_tlast and P = p_ref. More...

vector_fp m_s0_R
Vector containing the species reference entropies at T = m_tlast and P = p_ref. More...

vector_fp m_V0
Vector containing the species reference molar volumes. More...

bool m_useTmpStandardStateStorage

vector_fp m_hss_RT
Vector containing the species Standard State enthalpies at T = m_tlast and P = m_plast. More...

vector_fp m_cpss_R
Vector containing the species Standard State constant pressure heat capacities at T = m_tlast and P = m_plast. More...

vector_fp m_gss_RT
Vector containing the species Standard State Gibbs functions at T = m_tlast and P = m_plast. More...

vector_fp m_sss_R
Vector containing the species Standard State entropies at T = m_tlast and P = m_plast. More...

vector_fp m_Vss
Vector containing the species standard state volumes at T = m_tlast and P = m_plast. More...

vector_fp mPDSS_h0_RT
species reference enthalpies - used by individual PDSS objects More...

vector_fp mPDSS_cp0_R
species reference heat capacities - used by individual PDSS objects More...

vector_fp mPDSS_g0_RT
species reference Gibbs free energies - used by individual PDSS objects More...

vector_fp mPDSS_s0_R
species reference entropies - used by individual PDSS objects More...

vector_fp mPDSS_V0
species reference state molar Volumes - used by individual PDSS objects More...

vector_fp mPDSS_hss_RT
species standard state enthalpies - used by individual PDSS objects More...

vector_fp mPDSS_cpss_R
species standard state heat capacities - used by individual PDSS objects More...

vector_fp mPDSS_gss_RT
species standard state Gibbs free energies - used by individual PDSS objects More...

vector_fp mPDSS_sss_R
species standard state entropies - used by individual PDSS objects More...

vector_fp mPDSS_Vss
species standard state molar Volumes - used by individual PDSS objects More...

## Detailed Description

A VPSSMgr where all species in the phase obey an ideal gas equation of state.

Definition at line 23 of file VPSSMgr_IdealGas.h.

## Constructor & Destructor Documentation

 VPSSMgr_IdealGas ( VPStandardStateTP * vp_ptr, SpeciesThermo * spth )

Basic constructor that initializes the object.

Parameters
 vp_ptr Pointer to the owning ThermoPhase spth Species thermo pointer.

Definition at line 26 of file VPSSMgr_IdealGas.cpp.

Referenced by VPSSMgr_IdealGas::duplMyselfAsVPSSMgr().

 VPSSMgr_IdealGas ( const VPSSMgr_IdealGas & right )

Copy Constructor.

Definition at line 33 of file VPSSMgr_IdealGas.cpp.

## Member Function Documentation

 VPSSMgr_IdealGas & operator= ( const VPSSMgr_IdealGas & right )

Assignment operator.

Definition at line 41 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr::operator=().

 VPSSMgr * duplMyselfAsVPSSMgr ( ) const
virtual

Duplication routine for objects which derive from VPSSMgr.

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

Reimplemented from VPSSMgr.

Definition at line 50 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr_IdealGas::VPSSMgr_IdealGas().

 void getIntEnergy_RT ( doublereal * urt ) const
virtual

Returns the vector of nondimensional internal Energies of the standard state at the current temperature and pressure of the solution for each species.

The internal energy is calculated from the enthalpy from the following formula:

$u^{ss}_k(T,P) = h^{ss}_k(T) - P * V^{ss}_k$

Parameters
 urt Output vector of nondimensional standard state internal energies. length = m_kk.

Reimplemented from VPSSMgr.

Definition at line 55 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr::getEnthalpy_RT(), and VPSSMgr::m_kk.

 void getStandardVolumes ( doublereal * vol ) const
virtual

Get the molar volumes of each species in their standard states at the current T and P of the solution.

units = m^3 / kmol

This is redefined here to call the internal function, _updateStandardStateThermo(), which calculates all standard state properties at the same time.

Parameters
 vol Output vector of species volumes. length = m_kk. units = m^3 / kmol

Reimplemented from VPSSMgr.

Definition at line 63 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr::m_Vss.

protectedvirtual

Updates the standard state thermodynamic functions at the current T and P of the solution.

If m_useTmpStandardStateStorage is true, this function must be called for every call to functions in this class. It checks to see whether the temperature or pressure has changed and thus the ss thermodynamics functions for all of the species must be recalculated.

This function is responsible for updating the following internal members, when m_useTmpStandardStateStorage is true.

• m_hss_RT;
• m_cpss_R;
• m_gss_RT;
• m_sss_R;
• m_Vss

If m_useTmpStandardStateStorage is not true, this function may be required to be called by child classes to update internal member data.

Note, the base class implementation will throw an error. It must be reimplemented in derived classes.

Underscore updates never check for the state of the system They just do the calculation.

Reimplemented from VPSSMgr.

Definition at line 68 of file VPSSMgr_IdealGas.cpp.

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

Finalize the thermo after all species have been entered.

This function is the LAST initialization routine to be called. It's called after createInstallPDSS() has been called for each species in the phase, and after initThermo() has been called. It's called via an inner-to-outer onion shell like manner.

In this routine, we currently calculate the reference pressure, the minimum and maximum temperature for the applicability of the thermo formulation.

Parameters
 phaseNode Reference to the phaseNode XML node. id ID of the phase.

Reimplemented from VPSSMgr.

Definition at line 84 of file VPSSMgr_IdealGas.cpp.

References VPSSMgr::initThermoXML().

 PDSS * createInstallPDSS ( size_t k, const XML_Node & speciesNode, const XML_Node *const phaseNode_ptr )
virtual

Create and install an ideal gas standard state manager for one species within this object.

This function sets up the internal data within this object for handling the calculation of the standard state for the species.

• It registers the species with the SpeciesThermo object for the containing VPStandardStateTP phase.
• It also creates a PDSS object, which basically contains a duplication of some of this information and returns a pointer to the new object.
Parameters
 k Species index within the phase speciesNode Reference to the species node in the XML tree phaseNode_ptr Pointer to the phase node in the XML tree
Returns
Returns a pointer to the a newly malloced PDSS object containing the parameterization

Reimplemented from VPSSMgr.

Definition at line 90 of file VPSSMgr_IdealGas.cpp.

 PDSS_enumType reportPDSSType ( int index = -1 ) const
virtual

This utility function reports the type of parameterization used for the species with index number index.

The following methods are used in the process of reporting various states and attributes

Parameters
 index Species index

Reimplemented from VPSSMgr.

Definition at line 117 of file VPSSMgr_IdealGas.cpp.

 VPSSMgr_enumType reportVPSSMgrType ( ) const
virtual

This utility function reports the type of manager for the calculation of ss properties.

Returns
Returns an enum type called VPSSMgr_enumType, which is a list of the known VPSSMgr objects

Reimplemented from VPSSMgr.

Definition at line 122 of file VPSSMgr_IdealGas.cpp.

References Cantera::cVPSSMGR_IDEALGAS.

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