Cantera
2.2.1
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Constant Molar Volume e VPSS species thermo manager class. More...
#include <VPSSMgr_ConstVol.h>
Public Member Functions | |
VPSSMgr_ConstVol (VPStandardStateTP *vp_ptr, SpeciesThermo *spth) | |
Constructor. More... | |
VPSSMgr_ConstVol (const VPSSMgr_ConstVol &right) | |
Copy Constructor. More... | |
VPSSMgr_ConstVol & | operator= (const VPSSMgr_ConstVol &right) |
Assignment operator. More... | |
virtual VPSSMgr * | duplMyselfAsVPSSMgr () const |
Duplication routine for objects which derive from VPSSMgr. 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... | |
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 seen by application programs | |
virtual void | initThermo () |
virtual void | initThermoXML (XML_Node &phaseNode, const std::string &id) |
Finalize the thermo after all species have been entered. More... | |
virtual PDSS * | createInstallPDSS (size_t k, const XML_Node &speciesNode, const XML_Node *const phaseNode_ptr) |
Create and install a constant volume pressure dependent standard state for one species within this object. More... | |
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VPSSMgr (VPStandardStateTP *vptp_ptr, SpeciesThermo *spth=0) | |
Constructor. More... | |
virtual | ~VPSSMgr () |
Destructor. More... | |
VPSSMgr (const VPSSMgr &right) | |
Copy Constructor. More... | |
VPSSMgr & | operator= (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_fp & | enthalpy_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_fp & | entropy_R () const |
Return a reference to a vector of the entropies of the species. More... | |
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 | 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_fp & | cp_R () const |
Return a reference to a vector of the constant pressure heat capacities of the 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... | |
virtual const vector_fp & | getStandardVolumes () const |
const vector_fp & | standardVolumes () const |
Return a reference to a vector of the species standard molar volumes. More... | |
virtual void | getEnthalpy_RT_ref (doublereal *hrt) const |
const vector_fp & | Gibbs_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 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... | |
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... | |
SpeciesThermo * | SpeciesThermoMgr () |
Return the pointer to the reference-state Thermo calculator SpeciesThermo object. More... | |
virtual void | updateStandardStateThermo () |
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 | |
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 | _updateStandardStateThermo () |
Updates the standard state thermodynamic functions at the current T and P of the solution. More... | |
Thermodynamic Values for the Species Reference States | |
There are also temporary variables for holding the species reference- state values of Cp, H, S, and V at the last temperature and reference pressure called. These functions are not recalculated if a new call is made using the previous temperature. All calculations are done within the routine _updateRefStateThermo(). _updateRefStateThermo() is defined in the parent object. | |
virtual void | getGibbs_RT_ref (doublereal *grt) 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... | |
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virtual void | _updateRefStateThermo () const |
Updates the reference state thermodynamic functions at the current T of the solution and the reference pressure. More... | |
Additional Inherited Members | |
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size_t | m_kk |
Number of species in the phase. More... | |
VPStandardStateTP * | m_vptp_ptr |
Variable pressure ThermoPhase object. More... | |
SpeciesThermo * | m_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... | |
Constant Molar Volume e VPSS species thermo manager class.
The calculation of multiple-species thermodynamic property managers for variable temperature and pressure standard states assuming a constant partial molar volume assumption.
Definition at line 29 of file VPSSMgr_ConstVol.h.
VPSSMgr_ConstVol | ( | VPStandardStateTP * | vp_ptr, |
SpeciesThermo * | spth | ||
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Constructor.
vp_ptr | Pointer to the owning VPStandardStateTP object for the phase. It's a requirement that this be already malloced. |
spth | Pointer to the SpeciesThermo object for the phase. It's a requirement that this be already malloced. |
Definition at line 25 of file VPSSMgr_ConstVol.cpp.
References VPSSMgr::m_useTmpRefStateStorage, and VPSSMgr::m_useTmpStandardStateStorage.
Referenced by VPSSMgr_ConstVol::duplMyselfAsVPSSMgr().
VPSSMgr_ConstVol | ( | const VPSSMgr_ConstVol & | right | ) |
Copy Constructor.
Definition at line 32 of file VPSSMgr_ConstVol.cpp.
References VPSSMgr::m_useTmpRefStateStorage, and VPSSMgr::m_useTmpStandardStateStorage.
VPSSMgr_ConstVol & operator= | ( | const VPSSMgr_ConstVol & | right | ) |
Assignment operator.
Definition at line 41 of file VPSSMgr_ConstVol.cpp.
References VPSSMgr::operator=().
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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_ConstVol.cpp.
References VPSSMgr_ConstVol::VPSSMgr_ConstVol().
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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.
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 60 of file VPSSMgr_ConstVol.cpp.
References Cantera::GasConstant, VPSSMgr::m_cp0_R, VPSSMgr::m_cpss_R, VPSSMgr::m_gss_RT, VPSSMgr::m_h0_RT, VPSSMgr::m_hss_RT, VPSSMgr::m_kk, VPSSMgr::m_p0, VPSSMgr::m_plast, VPSSMgr::m_s0_R, VPSSMgr::m_sss_R, VPSSMgr::m_tlast, and VPSSMgr::m_Vss.
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protectedvirtual |
Returns the vector of nondimensional Gibbs free energies of the reference state at the current temperature of the solution and the reference pressure for the species.
grt | Output vector contains the nondimensional Gibbs free energies of the reference state of the species length = m_kk, units = dimensionless. |
Reimplemented from VPSSMgr.
Definition at line 74 of file VPSSMgr_ConstVol.cpp.
References VPSSMgr::m_g0_RT, and VPSSMgr::m_useTmpRefStateStorage.
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protectedvirtual |
Get the molar volumes of the species reference states at the current T and P_ref of the solution.
units = m^3 / kmol
vol | Output vector containing the standard state volumes. Length: m_kk. |
Reimplemented from VPSSMgr.
Definition at line 84 of file VPSSMgr_ConstVol.cpp.
References VPSSMgr::m_useTmpStandardStateStorage, and VPSSMgr::m_Vss.
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Initialize the object
This method is provided to allow subclasses to perform any initialization required after all species have been added. For example, it might be used to resize internal work arrays that must have an entry for each species. The base class implementation does nothing, and subclasses that do not require initialization do not need to overload this method. When importing a CTML phase description, this method is called just prior to returning from function importPhase().
Reimplemented from VPSSMgr.
Definition at line 94 of file VPSSMgr_ConstVol.cpp.
References VPSSMgr::initThermo().
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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.
phaseNode | Reference to the phaseNode XML node. |
id | ID of the phase. |
Reimplemented from VPSSMgr.
Definition at line 100 of file VPSSMgr_ConstVol.cpp.
References XML_Node::attrib(), XML_Node::child(), XML_Node::findByAttr(), XML_Node::findByName(), Cantera::get_XML_NameID(), Cantera::getFloat(), VPSSMgr::initThermoXML(), VPSSMgr::m_kk, VPSSMgr::m_vptp_ptr, VPSSMgr::m_Vss, XML_Node::root(), and Phase::speciesName().
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virtual |
Create and install a constant volume pressure dependent standard state 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.
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 |
Reimplemented from VPSSMgr.
Definition at line 129 of file VPSSMgr_ConstVol.cpp.
References XML_Node::attrib(), XML_Node::findByName(), Cantera::getFloat(), VPSSMgr::installSTSpecies(), VPSSMgr::m_vptp_ptr, and VPSSMgr::m_Vss.
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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
index | Species index |
Reimplemented from VPSSMgr.
Definition at line 152 of file VPSSMgr_ConstVol.cpp.
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virtual |
This utility function reports the type of manager for the calculation of ss properties.
Reimplemented from VPSSMgr.
Definition at line 157 of file VPSSMgr_ConstVol.cpp.
References Cantera::cVPSSMGR_CONSTVOL.