IdealSolidSolnPhase.h Source File#
IdealSolidSolnPhase.h
Go to the documentation of this file.
Header file for class ThermoPhase, the base class for phases with thermodynamic properties,...
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
Class IdealSolidSolnPhase represents a condensed phase ideal solution compound.
Definition IdealSolidSolnPhase.h:40
const vector< double > & entropy_R_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
Definition IdealSolidSolnPhase.cpp:282
void getStandardChemPotentials(double *mu0) const override
Get the standard state chemical potentials of the species.
Definition IdealSolidSolnPhase.h:373
double enthalpy_mole() const override
Molar enthalpy of the solution.
Definition IdealSolidSolnPhase.cpp:27
bool isIdeal() const override
Boolean indicating whether phase is ideal.
Definition IdealSolidSolnPhase.h:62
void getPartialMolarEnthalpies(double *hbar) const override
Returns an array of partial molar enthalpies for the species in the mixture.
Definition IdealSolidSolnPhase.cpp:137
void getChemPotentials(double *mu) const override
Get the species chemical potentials.
Definition IdealSolidSolnPhase.cpp:124
vector< double > m_g0_RT
Vector containing the species reference Gibbs functions at T = m_tlast.
Definition IdealSolidSolnPhase.h:592
bool isCompressible() const override
Return whether phase represents a compressible substance.
Definition IdealSolidSolnPhase.h:66
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 IdealSolidSolnPhase.cpp:352
void getEntropy_R(double *sr) const override
Get the nondimensional Entropies for the species standard states at the current T and P of the soluti...
Definition IdealSolidSolnPhase.cpp:198
vector< double > m_h0_RT
Vector containing the species reference enthalpies at T = m_tlast.
Definition IdealSolidSolnPhase.h:585
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 IdealSolidSolnPhase.cpp:242
double speciesMolarVolume(int k) const
Report the molar volume of species k.
Definition IdealSolidSolnPhase.cpp:425
vector< double > m_pp
Temporary array used in equilibrium calculations.
Definition IdealSolidSolnPhase.h:602
double m_Pref
Value of the reference pressure for all species in this phase.
Definition IdealSolidSolnPhase.h:566
void getCp_R(double *cpr) const override
Get the nondimensional heat capacity at constant pressure function for the species standard states at...
Definition IdealSolidSolnPhase.cpp:213
void getParameters(AnyMap &phaseNode) const override
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using ...
Definition IdealSolidSolnPhase.cpp:342
string type() const override
String indicating the thermodynamic model implemented.
Definition IdealSolidSolnPhase.h:58
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
Definition IdealSolidSolnPhase.cpp:334
void getActivityConcentrations(double *c) const override
This method returns the array of generalized concentrations.
Definition IdealSolidSolnPhase.cpp:85
void getSpeciesMolarVolumes(double *smv) const
Fill in a return vector containing the species molar volumes.
Definition IdealSolidSolnPhase.cpp:430
void setPressure(double p) override
Set the pressure at constant temperature.
Definition IdealSolidSolnPhase.cpp:61
const vector< double > & gibbs_RT_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
Definition IdealSolidSolnPhase.h:479
void getPartialMolarVolumes(double *vbar) const override
returns an array of partial molar volumes of the species in the solution.
Definition IdealSolidSolnPhase.cpp:164
double cv_mole() const override
Molar heat capacity at constant volume of the solution.
Definition IdealSolidSolnPhase.h:139
void getPureGibbs(double *gpure) const override
Get the Gibbs functions for the pure species at the current T and P of the solution.
Definition IdealSolidSolnPhase.cpp:171
double standardConcentration(size_t k) const override
The standard concentration used to normalize the generalized concentration.
Definition IdealSolidSolnPhase.cpp:104
void setStandardConcentrationModel(const string &model)
Set the form for the standard and generalized concentrations.
Definition IdealSolidSolnPhase.cpp:409
void getIntEnergy_RT_ref(double *urt) const override
Returns the vector of nondimensional internal Energies of the reference state at the current temperat...
Definition IdealSolidSolnPhase.cpp:251
void getEnthalpy_RT(double *hrt) const override
Get the array of nondimensional Enthalpy functions for the standard state species at the current T an...
Definition IdealSolidSolnPhase.cpp:189
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 IdealSolidSolnPhase.cpp:260
vector< double > m_s0_R
Vector containing the species reference entropies at T = m_tlast.
Definition IdealSolidSolnPhase.h:595
void getGibbs_RT(double *grt) const override
Get the nondimensional Gibbs function for the species standard states at the current T and P of the s...
Definition IdealSolidSolnPhase.cpp:180
double entropy_mole() const override
Molar entropy of the solution.
Definition IdealSolidSolnPhase.cpp:33
int m_formGC
The standard concentrations can have one of three different forms: 0 = 'unity', 1 = 'species-molar-vo...
Definition IdealSolidSolnPhase.h:558
vector< double > m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
Definition IdealSolidSolnPhase.h:582
void getCp_R_ref(double *cprt) const override
Returns the vector of nondimensional constant pressure heat capacities of the reference state at the ...
Definition IdealSolidSolnPhase.cpp:268
void getStandardVolumes(double *vol) const override
Get the molar volumes of the species standard states at the current T and P of the solution.
Definition IdealSolidSolnPhase.cpp:219
double cp_mole() const override
Molar heat capacity at constant pressure of the solution.
Definition IdealSolidSolnPhase.cpp:44
void getIntEnergy_RT(double *urt) const override
Returns the vector of nondimensional Internal Energies of the standard state species at the current T...
Definition IdealSolidSolnPhase.cpp:204
Units standardConcentrationUnits() const override
Returns the units of the "standard concentration" for this phase.
Definition IdealSolidSolnPhase.cpp:75
void getPartialMolarCp(double *cpbar) const override
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
Definition IdealSolidSolnPhase.cpp:156
void compositionChanged() override
Apply changes to the state which are needed after the composition changes.
Definition IdealSolidSolnPhase.cpp:67
double gibbs_mole() const override
Molar Gibbs free energy of the solution.
Definition IdealSolidSolnPhase.cpp:38
vector< double > m_cp0_R
Vector containing the species reference constant pressure heat capacities at T = m_tlast.
Definition IdealSolidSolnPhase.h:589
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition IdealSolidSolnPhase.cpp:290
virtual void _updateThermo() const
This function gets called for every call to functions in this class.
Definition IdealSolidSolnPhase.cpp:435
void setToEquilState(const double *mu_RT) override
This method is used by the ChemEquil equilibrium solver.
Definition IdealSolidSolnPhase.cpp:379
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 IdealSolidSolnPhase.cpp:234
void getActivityCoefficients(double *ac) const override
Get the array of species activity coefficients.
Definition IdealSolidSolnPhase.cpp:117
vector< double > m_expg0_RT
Vector containing the species reference exp(-G/RT) functions at T = m_tlast.
Definition IdealSolidSolnPhase.h:599
void getPartialMolarEntropies(double *sbar) const override
Returns an array of partial molar entropies of the species in the solution.
Definition IdealSolidSolnPhase.cpp:147
const vector< double > & cp_R_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
Definition IdealSolidSolnPhase.h:498
double m_Pcurrent
m_Pcurrent = The current pressure Since the density isn't a function of pressure, but only of the mol...
Definition IdealSolidSolnPhase.h:575
void getEnthalpy_RT_ref(double *hrt) const override
Returns the vector of nondimensional enthalpies of the reference state at the current temperature of ...
Definition IdealSolidSolnPhase.cpp:226
virtual void calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
Definition IdealSolidSolnPhase.cpp:51
const vector< double > & enthalpy_RT_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
Definition IdealSolidSolnPhase.cpp:276
Base class for a phase with thermodynamic properties.
Definition ThermoPhase.h:390
A representation of the units associated with a dimensional quantity.
Definition Units.h:35
Generated by