LatticeSolidPhase.cpp Source File#
LatticeSolidPhase.cpp
Go to the documentation of this file.
#define CT_ELEM_TYPE_LATTICERATIO
Constraint associated with maintaining a fixed lattice stoichiometry in a solid.
Definition Elements.h:54
Header for a simple thermodynamics model of a bulk solid phase derived from ThermoPhase,...
Header for a general species thermodynamic property manager for a phase (see MultiSpeciesThermo).
Header for factory functions to build instances of classes that manage the standard-state thermodynam...
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
vector< shared_ptr< ThermoPhase > > m_lattice
Vector of sublattice ThermoPhase objects.
Definition LatticeSolidPhase.h:452
void setLatticeStoichiometry(const Composition &comp)
Set the lattice stoichiometric coefficients, .
Definition LatticeSolidPhase.cpp:376
void getStandardChemPotentials(double *mu0) const override
Get the array of standard state chemical potentials at unit activity for the species at their standar...
Definition LatticeSolidPhase.cpp:262
double enthalpy_mole() const override
Return the Molar Enthalpy. Units: J/kmol.
Definition LatticeSolidPhase.cpp:63
double logStandardConc(size_t k=0) const override
Natural logarithm of the standard concentration of the kth species.
Definition LatticeSolidPhase.cpp:140
AnyMap m_rootNode
Root node of the AnyMap which contains this phase definition.
Definition LatticeSolidPhase.h:471
void getPartialMolarEnthalpies(double *hbar) const override
Returns an array of partial molar enthalpies for the species in the mixture.
Definition LatticeSolidPhase.cpp:218
void getChemPotentials(double *mu) const override
Get the species chemical potentials. Units: J/kmol.
Definition LatticeSolidPhase.cpp:207
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 LatticeSolidPhase.cpp:330
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 LatticeSolidPhase.cpp:280
void modifyOneHf298SS(const size_t k, const double Hf298New) override
Modify the value of the 298 K Heat of Formation of one species in the phase (J kmol-1)
Definition LatticeSolidPhase.cpp:427
void getParameters(AnyMap &phaseNode) const override
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using ...
Definition LatticeSolidPhase.cpp:310
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
Definition LatticeSolidPhase.cpp:295
void setMoleFractions(const double *const x) override
Set the mole fractions to the specified values, and then normalize them so that they sum to 1....
Definition LatticeSolidPhase.cpp:164
void getActivityConcentrations(double *c) const override
This method returns an array of generalized concentrations.
Definition LatticeSolidPhase.cpp:118
void setPressure(double p) override
Set the pressure at constant temperature. Units: Pa.
Definition LatticeSolidPhase.cpp:145
void getPartialMolarVolumes(double *vbar) const override
returns an array of partial molar volumes of the species in the solution.
Definition LatticeSolidPhase.cpp:251
void setLatticeMoleFractionsByName(int n, const string &x)
Set the Lattice mole fractions using a string.
Definition LatticeSolidPhase.cpp:412
double refPressure() const override
Returns the reference pressure in Pa.
Definition LatticeSolidPhase.cpp:58
double minTemp(size_t k=npos) const override
Minimum temperature for which the thermodynamic data for the species or phase are valid.
Definition LatticeSolidPhase.cpp:26
double intEnergy_mole() const override
Return the Molar Internal Energy. Units: J/kmol.
Definition LatticeSolidPhase.cpp:73
double entropy_mole() const override
Return the Molar Entropy. Units: J/kmol/K.
Definition LatticeSolidPhase.cpp:83
void getMoleFractions(double *const x) const
Get the species mole fraction vector.
Definition LatticeSolidPhase.cpp:179
double cp_mole() const override
Return the constant pressure heat capacity. Units: J/kmol/K.
Definition LatticeSolidPhase.cpp:103
Units standardConcentrationUnits() const override
Returns the units of the "standard concentration" for this phase.
Definition LatticeSolidPhase.cpp:113
void getPartialMolarCp(double *cpbar) const override
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
Definition LatticeSolidPhase.cpp:240
double gibbs_mole() const override
Return the Molar Gibbs energy. Units: J/kmol.
Definition LatticeSolidPhase.cpp:93
double standardConcentration(size_t k=0) const override
Return the standard concentration for the kth species.
Definition LatticeSolidPhase.cpp:135
void addLattice(shared_ptr< ThermoPhase > lattice)
Add a lattice to this phase.
Definition LatticeSolidPhase.cpp:349
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition LatticeSolidPhase.cpp:343
void _updateThermo() const
Update the reference thermodynamic functions.
Definition LatticeSolidPhase.cpp:396
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 LatticeSolidPhase.cpp:272
void getActivityCoefficients(double *ac) const override
Get the array of non-dimensional molar-based activity coefficients at the current solution temperatur...
Definition LatticeSolidPhase.cpp:128
void setParameters(const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap()) override
Set equation of state parameters from an AnyMap phase description.
Definition LatticeSolidPhase.cpp:288
void resetHf298(const size_t k=npos) override
Restore the original heat of formation of one or more species.
Definition LatticeSolidPhase.cpp:440
void getPartialMolarEntropies(double *sbar) const override
Returns an array of partial molar entropies of the species in the solution.
Definition LatticeSolidPhase.cpp:229
double maxTemp(size_t k=npos) const override
Maximum temperature for which the thermodynamic data for the species are valid.
Definition LatticeSolidPhase.cpp:42
A species thermodynamic property manager for a phase.
Definition MultiSpeciesThermo.h:47
virtual void modifyOneHf298(const size_t k, const double Hf298New)
Modify the value of the 298 K Heat of Formation of the standard state of one species in the phase (J ...
Definition MultiSpeciesThermo.cpp:187
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 addElement(const string &symbol, double weight=-12345.0, int atomicNumber=0, double entropy298=ENTROPY298_UNKNOWN, int elem_type=CT_ELEM_TYPE_ABSPOS)
Add an element.
Definition Phase.cpp:635
virtual void setParameters(const AnyMap &phaseNode, const AnyMap &rootNode=AnyMap())
Set equation of state parameters from an AnyMap phase description.
Definition ThermoPhase.cpp:1084
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 invalidateCache() override
Invalidate any cached values which are normally updated only when a change in state is detected.
Definition ThermoPhase.cpp:1162
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
shared_ptr< ThermoPhase > newThermo(const AnyMap &phaseNode, const AnyMap &rootNode)
Create a new ThermoPhase object and initialize it.
Definition ThermoFactory.cpp:125
const U & getValue(const map< T, U > &m, const T &key, const U &default_val)
Const accessor for a value in a map.
Definition utilities.h:190
Contains declarations for string manipulation functions within Cantera.
Various templated functions that carry out common vector and polynomial operations (see Templated Arr...
Generated by 1.9.7