IdealSolidSolnPhase.cpp Source File#
IdealSolidSolnPhase.cpp
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Header file for an ideal solid solution model with incompressible thermodynamics (see Thermodynamic P...
Declaration for class Cantera::Species.
Headers for the factory class that can create known ThermoPhase objects (see Thermodynamic Properties...
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
bool hasKey(const string &key) const
Returns true if the map contains an item named key.
Definition AnyMap.cpp:1423
Base class for exceptions thrown by Cantera classes.
Definition ctexceptions.h:66
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
double enthalpy_mole() const override
Molar enthalpy of the solution.
Definition IdealSolidSolnPhase.cpp:27
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
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
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
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
IdealSolidSolnPhase(const string &infile="", const string &id="")
Construct and initialize an IdealSolidSolnPhase ThermoPhase object directly from an input file.
Definition IdealSolidSolnPhase.cpp:20
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
virtual void update(double T, double *cp_R, double *h_RT, double *s_R) const
Compute the reference-state properties for all species.
Definition MultiSpeciesThermo.cpp:94
void assignDensity(const double density_)
Set the internally stored constant density (kg/m^3) of the phase.
Definition Phase.cpp:597
virtual void setMoleFractions(const double *const x)
Set the mole fractions to the specified values.
Definition Phase.cpp:289
void getMoleFractions(double *const x) const
Get the species mole fraction vector.
Definition Phase.cpp:434
size_t speciesIndex(const string &name) const
Returns the index of a species named 'name' within the Phase object.
Definition Phase.cpp:129
double moleFraction(size_t k) const
Return the mole fraction of a single species.
Definition Phase.cpp:439
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
Definition Phase.cpp:905
double mean_X(const double *const Q) const
Evaluate the mole-fraction-weighted mean of an array Q.
Definition Phase.cpp:616
virtual bool ready() const
Returns a bool indicating whether the object is ready for use.
Definition Phase.cpp:885
shared_ptr< Species > species(const string &name) const
Return the Species object for the named species.
Definition Phase.cpp:856
virtual void getParameters(AnyMap &phaseNode) const
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using ...
Definition ThermoPhase.cpp:1099
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 initThermoFile(const string &inputFile, const string &id)
Initialize a ThermoPhase object using an input file.
Definition ThermoPhase.cpp:995
virtual void getSpeciesParameters(const string &name, AnyMap &speciesNode) const
Get phase-specific parameters of a Species object such that an identical one could be reconstructed a...
Definition ThermoPhase.h:1831
MultiSpeciesThermo m_spthermo
Pointer to the calculation manager for species reference-state thermodynamic properties.
Definition ThermoPhase.h:1962
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition ThermoPhase.cpp:1054
A representation of the units associated with a dimensional quantity.
Definition Units.h:35
bool caseInsensitiveEquals(const string &input, const string &test)
Case insensitive equality predicate.
Definition stringUtils.cpp:223
Contains declarations for string manipulation functions within Cantera.
Various templated functions that carry out common vector and polynomial operations (see Templated Arr...
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