LatticePhase.cpp Source File#
LatticePhase.cpp
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Header for a simple thermodynamics model of a bulk phase derived from ThermoPhase,...
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
double convert(const string &key, const string &units) const
Convert the item stored by the given key to the units specified in units.
Definition AnyMap.cpp:1535
const vector< double > & entropy_R_ref() const
Returns a reference to the dimensionless reference state Entropy vector.
Definition LatticePhase.cpp:209
double enthalpy_mole() const override
Return the Molar Enthalpy. Units: J/kmol.
Definition LatticePhase.cpp:26
double logStandardConc(size_t k=0) const override
Natural logarithm of the standard concentration of the kth species.
Definition LatticePhase.cpp:87
void getPartialMolarEnthalpies(double *hbar) const override
Returns an array of partial molar enthalpies for the species in the mixture.
Definition LatticePhase.cpp:103
void getChemPotentials(double *mu) const override
Get the species chemical potentials. Units: J/kmol.
Definition LatticePhase.cpp:92
vector< double > m_g0_RT
Temporary storage for the reference state Gibbs energies.
Definition LatticePhase.h:574
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 LatticePhase.cpp:291
void getEntropy_R(double *sr) const override
Get the array of nondimensional Entropy functions for the species standard states at the current T an...
Definition LatticePhase.cpp:155
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 LatticePhase.cpp:170
void getStandardChemPotentials(double *mu) const override
Get the array of chemical potentials at unit activity for the species at their standard states at the...
Definition LatticePhase.cpp:131
void getCp_R(double *cpr) const override
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
Definition LatticePhase.cpp:178
void getParameters(AnyMap &phaseNode) const override
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using ...
Definition LatticePhase.cpp:285
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
Definition LatticePhase.cpp:278
void getActivityConcentrations(double *c) const override
This method returns an array of generalized concentrations.
Definition LatticePhase.cpp:70
void setPressure(double p) override
Set the internally stored pressure (Pa) at constant temperature and composition.
Definition LatticePhase.cpp:53
const vector< double > & gibbs_RT_ref() const
Returns a reference to the dimensionless reference state Gibbs free energy vector.
Definition LatticePhase.cpp:195
void getPartialMolarVolumes(double *vbar) const override
Return an array of partial molar volumes for the species in the mixture.
Definition LatticePhase.cpp:126
double cv_mole() const override
Molar heat capacity at constant volume of the solution.
Definition LatticePhase.cpp:42
void getPureGibbs(double *gpure) const override
Get the Gibbs functions for the standard state of the species at the current T and P of the solution.
Definition LatticePhase.cpp:137
void getEnthalpy_RT(double *hrt) const override
Get the nondimensional Enthalpy functions for the species standard states at their standard states at...
Definition LatticePhase.cpp:146
vector< double > m_s0_R
Temporary storage for the reference state entropies at the current temperature.
Definition LatticePhase.h:578
void getGibbs_RT(double *grt) const override
Get the nondimensional Gibbs functions for the species standard states at the current T and P of the ...
Definition LatticePhase.cpp:161
double entropy_mole() const override
Molar entropy of the solution. Units: J/kmol/K.
Definition LatticePhase.cpp:32
void setSiteDensity(double sitedens)
Set the density of lattice sites [kmol/m^3].
Definition LatticePhase.cpp:249
vector< double > m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
Definition LatticePhase.h:584
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 LatticePhase.cpp:184
double cp_mole() const override
Molar heat capacity at constant pressure of the solution.
Definition LatticePhase.cpp:37
Units standardConcentrationUnits() const override
Returns the units of the "standard concentration" for this phase.
Definition LatticePhase.cpp:65
void getPartialMolarCp(double *cpbar) const override
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
Definition LatticePhase.cpp:118
void compositionChanged() override
Apply changes to the state which are needed after the composition changes.
Definition LatticePhase.cpp:59
double standardConcentration(size_t k=0) const override
Return the standard concentration for the kth species.
Definition LatticePhase.cpp:82
vector< double > m_cp0_R
Temporary storage for the reference state heat capacities.
Definition LatticePhase.h:571
double calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
Definition LatticePhase.cpp:47
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition LatticePhase.cpp:221
void _updateThermo() const
Update the species reference state thermodynamic functions.
Definition LatticePhase.cpp:265
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 LatticePhase.cpp:201
void getActivityCoefficients(double *ac) const override
Get the array of non-dimensional activity coefficients at the current solution temperature,...
Definition LatticePhase.cpp:75
LatticePhase(const string &inputFile="", const string &id="")
Full constructor for a lattice phase.
Definition LatticePhase.cpp:21
void getPartialMolarEntropies(double *sbar) const override
Returns an array of partial molar entropies of the species in the solution.
Definition LatticePhase.cpp:109
const vector< double > & cp_R_ref() const
Returns a reference to the dimensionless reference state Heat Capacity vector.
Definition LatticePhase.cpp:215
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
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
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
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
const AnyMap & input() const
Access input data associated with the phase description.
Definition ThermoPhase.cpp:1152
A representation of the units associated with a dimensional quantity.
Definition Units.h:35
void scale(InputIter begin, InputIter end, OutputIter out, S scale_factor)
Multiply elements of an array by a scale factor.
Definition utilities.h:104
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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