PDSS_HKFT.h Source File#
PDSS_HKFT.h
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Declarations for the virtual base class PDSS (pressure dependent standard state) which handles calcul...
Header for a class used to house several approximation routines for properties of water.
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
Class for pressure dependent standard states corresponding to ionic solutes in electrolyte water.
Definition PDSS_HKFT.h:28
double molarVolume() const override
Return the molar volume at standard state.
Definition PDSS_HKFT.cpp:107
static int s_InputInconsistencyErrorExit
Static variable determining error exiting.
Definition PDSS_HKFT.h:297
void setParent(VPStandardStateTP *phase, size_t k) override
Set the parent VPStandardStateTP object of this PDSS object.
Definition PDSS_HKFT.h:71
double enthalpy_mole() const override
Return the molar enthalpy in units of J kmol-1.
Definition PDSS_HKFT.cpp:29
unique_ptr< WaterProps > m_waterProps
Pointer to the water property calculator.
Definition PDSS_HKFT.h:221
double deltaS() const
Main routine that actually calculates the entropy difference between the reference state at Tr,...
Definition PDSS_HKFT.cpp:398
double f(const double temp, const double pres, const int ifunc=0) const
Difference function f appearing in the formulation.
Definition PDSS_HKFT.cpp:466
double m_densWaterSS
density of standard-state water. internal temporary variable
Definition PDSS_HKFT.h:218
double LookupGe(const string &elemName)
Function to look up Element Free Energies.
Definition PDSS_HKFT.cpp:561
double gibbs_RT_ref() const override
Return the molar Gibbs free energy divided by RT at reference pressure.
Definition PDSS_HKFT.cpp:155
double m_deltaG_formation_tr_pr
Input value of deltaG of Formation at Tr and Pr (cal gmol-1)
Definition PDSS_HKFT.h:230
void setDeltaG0(double dg0)
Set Gibbs free energy of formation at Pr, Tr [J/kmol].
Definition PDSS_HKFT.cpp:319
double gstar(const double temp, const double pres, const int ifunc=0) const
Evaluate the Gstar value appearing in the HKFT formulation.
Definition PDSS_HKFT.cpp:553
double entropy_R_ref() const override
Return the molar entropy divided by R at reference pressure.
Definition PDSS_HKFT.cpp:173
double deltaG() const
Main routine that actually calculates the Gibbs free energy difference between the reference state at...
Definition PDSS_HKFT.cpp:365
double enthalpy_RT_ref() const override
Return the molar enthalpy divided by RT at reference pressure.
Definition PDSS_HKFT.cpp:164
double bg(const double temp, const int ifunc=0) const
Internal formula for the calculation of b_g()
Definition PDSS_HKFT.cpp:452
void getParameters(AnyMap &eosNode) const override
Store the parameters needed to reconstruct a copy of this PDSS object.
Definition PDSS_HKFT.cpp:343
double intEnergy_mole() const override
Return the molar internal Energy in units of J kmol-1.
Definition PDSS_HKFT.cpp:36
double entropy_mole() const override
Return the molar entropy in units of J kmol-1 K-1.
Definition PDSS_HKFT.cpp:41
double g(const double temp, const double pres, const int ifunc=0) const
function g appearing in the formulation
Definition PDSS_HKFT.cpp:500
void setState_TP(double temp, double pres) override
Set the internal temperature and pressure.
Definition PDSS_HKFT.cpp:200
void convertDGFormation()
Translate a Gibbs free energy of formation value to a NIST-based Chemical potential.
Definition PDSS_HKFT.cpp:575
double cp_mole() const override
Return the molar const pressure heat capacity in units of J kmol-1 K-1.
Definition PDSS_HKFT.cpp:51
double m_deltaH_formation_tr_pr
Input value of deltaH of Formation at Tr and Pr (cal gmol-1)
Definition PDSS_HKFT.h:239
double ag(const double temp, const int ifunc=0) const
Internal formula for the calculation of a_g()
Definition PDSS_HKFT.cpp:438
double density() const override
Return the standard state density at standard state.
Definition PDSS_HKFT.cpp:150
double gibbs_mole() const override
Return the molar Gibbs free energy in units of J kmol-1.
Definition PDSS_HKFT.cpp:46
double molarVolume_ref() const override
Return the molar volume at reference pressure.
Definition PDSS_HKFT.cpp:191
double m_Mu0_tr_pr
Value of the Absolute Gibbs Free Energy NIST scale at T_r and P_r.
Definition PDSS_HKFT.h:248
void setDeltaH0(double dh0)
Set enthalpy of formation at Pr, Tr [J/kmol].
Definition PDSS_HKFT.cpp:315
double cp_R_ref() const override
Return the molar heat capacity divided by R at reference pressure.
Definition PDSS_HKFT.cpp:182
Base class for PDSS classes which compute molar properties directly.
Definition PDSS.h:426
Class for the liquid water pressure dependent standard state.
Definition PDSS_Water.h:50
This is a filter class for ThermoPhase that implements some preparatory steps for efficiently handlin...
Definition VPStandardStateTP.h:44
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