VPStandardStateTP.cpp Source File#
VPStandardStateTP.cpp
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Declarations for the virtual base class PDSS (pressure dependent standard state) which handles calcul...
Declaration for class Cantera::Species.
Header file for a derived class of ThermoPhase that handles variable pressure standard state methods ...
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
const string & getString(const string &key, const string &default_) const
If key exists, return it as a string, otherwise return default_.
Definition AnyMap.cpp:1530
Base class for exceptions thrown by Cantera classes.
Definition ctexceptions.h:66
virtual void install_STIT(size_t index, shared_ptr< SpeciesThermoInterpType > stit)
Install a new species thermodynamic property parameterization for one species.
Definition MultiSpeciesThermo.cpp:21
An error indicating that an unimplemented function has been called.
Definition ctexceptions.h:195
Virtual base class for a species with a pressure dependent standard state.
Definition PDSS.h:140
virtual double cp_R_ref() const
Return the molar heat capacity divided by R at reference pressure.
Definition PDSS.cpp:93
virtual double entropy_R_ref() const
Return the molar entropy divided by R at reference pressure.
Definition PDSS.cpp:88
virtual double molarVolume_ref() const
Return the molar volume at reference pressure.
Definition PDSS.cpp:98
virtual double enthalpy_RT() const
Return the standard state molar enthalpy divided by RT.
Definition PDSS.cpp:23
virtual double enthalpy_RT_ref() const
Return the molar enthalpy divided by RT at reference pressure.
Definition PDSS.cpp:83
virtual double entropy_R() const
Return the standard state entropy divided by RT.
Definition PDSS.cpp:38
virtual double cp_R() const
Return the molar const pressure heat capacity divided by RT.
Definition PDSS.cpp:58
virtual void getParameters(AnyMap &eosNode) const
Store the parameters needed to reconstruct a copy of this PDSS object.
Definition PDSS.h:392
virtual void setState_TP(double temp, double pres)
Set the internal temperature and pressure.
Definition PDSS.cpp:152
virtual bool addSpecies(shared_ptr< Species > spec)
Add a Species to this Phase.
Definition Phase.cpp:701
size_t speciesIndex(const string &name) const
Returns the index of a species named 'name' within the Phase object.
Definition Phase.cpp:129
virtual void setTemperature(double temp)
Set the internally stored temperature of the phase (K).
Definition Phase.h:623
shared_ptr< Species > species(const string &name) const
Return the Species object for the named species.
Definition Phase.cpp:856
shared_ptr< SpeciesThermoInterpType > thermo
Thermodynamic data for the species.
Definition Species.h:80
double RT() const
Return the Gas Constant multiplied by the current temperature.
Definition ThermoPhase.h:1062
double m_tlast
last value of the temperature processed by reference state
Definition ThermoPhase.h:1985
virtual void initThermo()
Initialize the ThermoPhase object after all species have been set up.
Definition ThermoPhase.cpp:1016
void invalidateCache() override
Invalidate any cached values which are normally updated only when a change in state is detected.
Definition ThermoPhase.cpp:1162
MultiSpeciesThermo m_spthermo
Pointer to the calculation manager for species reference-state thermodynamic properties.
Definition ThermoPhase.h:1962
double m_Plast_ss
The last pressure at which the Standard State thermodynamic properties were calculated at.
Definition VPStandardStateTP.h:250
int standardStateConvention() const override
This method returns the convention used in specification of the standard state, of which there are cu...
Definition VPStandardStateTP.cpp:31
vector< double > m_g0_RT
Vector containing the species reference Gibbs functions at T = m_tlast and P = p_ref.
Definition VPStandardStateTP.h:269
vector< double > m_sss_R
Vector containing the species Standard State entropies at T = m_tlast and P = m_plast.
Definition VPStandardStateTP.h:292
void installPDSS(size_t k, unique_ptr< PDSS > &&pdss)
Install a PDSS object for species k
Definition VPStandardStateTP.cpp:225
void getSpeciesParameters(const string &name, AnyMap &speciesNode) const override
Get phase-specific parameters of a Species object such that an identical one could be reconstructed a...
Definition VPStandardStateTP.cpp:155
void getEntropy_R(double *sr) const override
Get the array of nondimensional Entropy functions for the standard state species at the current T and...
Definition VPStandardStateTP.cpp:52
vector< double > m_h0_RT
Vector containing the species reference enthalpies at T = m_tlast and P = p_ref.
Definition VPStandardStateTP.h:261
virtual void _updateStandardStateThermo() const
Updates the standard state thermodynamic functions at the current T and P of the solution.
Definition VPStandardStateTP.cpp:259
void getGibbs_ref(double *g) const override
Returns the vector of the Gibbs function of the reference state at the current temperature of the sol...
Definition VPStandardStateTP.cpp:111
void getStandardChemPotentials(double *mu) const override
Get the array of chemical potentials at unit activity for the species at their standard states at the...
Definition VPStandardStateTP.cpp:38
void getCp_R(double *cpr) const override
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
Definition VPStandardStateTP.cpp:80
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
Definition VPStandardStateTP.cpp:142
void setPressure(double p) override
Set the internally stored pressure (Pa) at constant temperature and composition.
Definition VPStandardStateTP.cpp:194
vector< unique_ptr< PDSS > > m_PDSS_storage
Storage for the PDSS objects for the species.
Definition VPStandardStateTP.h:257
void getStandardVolumes_ref(double *vol) const override
Get the molar volumes of the species reference states at the current T and P_ref of the solution.
Definition VPStandardStateTP.cpp:136
vector< double > m_gss_RT
Vector containing the species Standard State Gibbs functions at T = m_tlast and P = m_plast.
Definition VPStandardStateTP.h:288
double m_Tlast_ss
The last temperature at which the standard state thermodynamic properties were calculated at.
Definition VPStandardStateTP.h:246
void getPureGibbs(double *gpure) const override
Get the Gibbs functions for the standard state of the species at the current T and P of the solution.
Definition VPStandardStateTP.cpp:64
void getEnthalpy_RT(double *hrt) const override
Get the nondimensional Enthalpy functions for the species at their standard states at the current T a...
Definition VPStandardStateTP.cpp:46
vector< double > m_cpss_R
Vector containing the species Standard State constant pressure heat capacities at T = m_tlast and P =...
Definition VPStandardStateTP.h:284
double m_maxTemp
The maximum temperature at which data for all species is valid.
Definition VPStandardStateTP.h:242
void getEntropy_R_ref(double *er) const override
Returns the vector of nondimensional entropies of the reference state at the current temperature of t...
Definition VPStandardStateTP.cpp:124
void setTemperature(const double temp) override
Set the temperature of the phase.
Definition VPStandardStateTP.cpp:188
double minTemp(size_t k=npos) const override
Minimum temperature for which the thermodynamic data for the species or phase are valid.
Definition VPStandardStateTP.cpp:293
vector< double > m_s0_R
Vector containing the species reference entropies at T = m_tlast and P = p_ref.
Definition VPStandardStateTP.h:273
vector< double > m_Vss
Vector containing the species standard state volumes at T = m_tlast and P = m_plast.
Definition VPStandardStateTP.h:296
double m_minTemp
The minimum temperature at which data for all species is valid.
Definition VPStandardStateTP.h:239
void getGibbs_RT(double *grt) const override
Get the nondimensional Gibbs functions for the species in their standard states at the current T and ...
Definition VPStandardStateTP.cpp:58
vector< double > m_V0
Vector containing the species reference molar volumes.
Definition VPStandardStateTP.h:276
void invalidateCache() override
Invalidate any cached values which are normally updated only when a change in state is detected.
Definition VPStandardStateTP.cpp:253
void getCp_R_ref(double *cprt) const override
Returns the vector of nondimensional constant pressure heat capacities of the reference state at the ...
Definition VPStandardStateTP.cpp:130
void setState_TP(double T, double pres) override
Set the temperature and pressure at the same time.
Definition VPStandardStateTP.cpp:205
void getIntEnergy_RT(double *urt) const override
Returns the vector of nondimensional Internal Energies of the standard state species at the current T...
Definition VPStandardStateTP.cpp:71
vector< double > m_cp0_R
Vector containing the species reference constant pressure heat capacities at T = m_tlast and P = p_re...
Definition VPStandardStateTP.h:265
virtual void updateStandardStateThermo() const
Updates the standard state thermodynamic functions at the current T and P of the solution.
Definition VPStandardStateTP.cpp:285
vector< double > m_hss_RT
Vector containing the species Standard State enthalpies at T = m_tlast and P = m_plast.
Definition VPStandardStateTP.h:280
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition VPStandardStateTP.cpp:164
void getGibbs_RT_ref(double *grt) const override
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
Definition VPStandardStateTP.cpp:105
double maxTemp(size_t k=npos) const override
Maximum temperature for which the thermodynamic data for the species are valid.
Definition VPStandardStateTP.cpp:302
void getEnthalpy_RT_ref(double *hrt) const override
Returns the vector of nondimensional enthalpies of the reference state at the current temperature of ...
Definition VPStandardStateTP.cpp:99
virtual void calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
Definition VPStandardStateTP.cpp:200
This file contains definitions for utility functions and text for modules, inputfiles and logging,...
void scale(InputIter begin, InputIter end, OutputIter out, S scale_factor)
Multiply elements of an array by a scale factor.
Definition utilities.h:104
const int cSS_CONVENTION_VPSS
Standard state uses the molality convention.
Definition ThermoPhase.h:146
Various templated functions that carry out common vector and polynomial operations (see Templated Arr...
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