LatticeSolidPhase.h Source File#
LatticeSolidPhase.h
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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
A phase that is comprised of a fixed additive combination of other lattice phases.
Definition LatticeSolidPhase.h:105
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
int standardStateConvention() const override
This method returns the convention used in specification of the standard state, of which there are cu...
Definition LatticeSolidPhase.h:140
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
bool isCompressible() const override
Return whether phase represents a compressible substance.
Definition LatticeSolidPhase.h:122
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
map< string, size_t > nativeState() const override
Return a map of properties defining the native state of a substance.
Definition LatticeSolidPhase.h:126
void setConcentrations(const double *const conc) override
Set the concentrations to the specified values within the phase.
Definition LatticeSolidPhase.h:311
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 setMassFractions(const double *const y) override
Set the mass fractions to the specified values and normalize them.
Definition LatticeSolidPhase.h:295
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
string type() const override
String indicating the thermodynamic model implemented.
Definition LatticeSolidPhase.h:110
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
double concentration(size_t k) const override
Concentration of species k.
Definition LatticeSolidPhase.h:307
double cv_mole() const override
Return the constant volume heat capacity. Units: J/kmol/K.
Definition LatticeSolidPhase.h:235
void getConcentrations(double *const c) const override
Get the species concentrations (kmol/m^3).
Definition LatticeSolidPhase.h:303
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 setMassFractions_NoNorm(const double *const y) override
Set the mass fractions to the specified values without normalizing.
Definition LatticeSolidPhase.h:299
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
string phaseOfMatter() const override
String indicating the mechanical phase of the matter in this Phase.
Definition LatticeSolidPhase.h:118
An error indicating that an unimplemented function has been called.
Definition ctexceptions.h:195
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
const int cSS_CONVENTION_SLAVE
Standard state thermodynamics is obtained from slave ThermoPhase objects.
Definition ThermoPhase.h:148
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