192 explicit LatticePhase(
const string& inputFile=
"",
const string&
id=
"");
203 return { {
"T", 0}, {
"P", 1}, {
"X", 2} };
257 double cp_mole()
const override;
270 double cv_mole()
const override;
501 void getCp_R(
double* cpr)
const override;
509 const vector<double>& enthalpy_RT_ref()
const;
535 const vector<double>&
cp_R_ref()
const;
541 bool addSpecies(shared_ptr<Species> spec)
override;
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.
A simple thermodynamic model for a bulk phase, assuming a lattice of solid atoms.
const vector< double > & entropy_R_ref() const
Returns a reference to the dimensionless reference state Entropy vector.
double enthalpy_mole() const override
Return the Molar Enthalpy. Units: J/kmol.
double logStandardConc(size_t k=0) const override
Natural logarithm of the standard concentration of the kth species.
void getPartialMolarEnthalpies(double *hbar) const override
Returns an array of partial molar enthalpies for the species in the mixture.
void getChemPotentials(double *mu) const override
Get the species chemical potentials. Units: J/kmol.
double m_site_density
Site Density of the lattice solid.
double pressure() const override
Pressure. Units: Pa.
vector< double > m_g0_RT
Temporary storage for the reference state Gibbs energies.
bool isCompressible() const override
Return whether phase represents a compressible substance.
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...
void getEntropy_R(double *sr) const override
Get the array of nondimensional Entropy functions for the species standard states at the current T an...
vector< double > m_h0_RT
Reference state enthalpies / RT.
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...
double m_Pref
Reference state pressure.
void getStandardChemPotentials(double *mu) const override
Get the array of chemical potentials at unit activity for the species at their standard states at the...
void getCp_R(double *cpr) const override
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
void getParameters(AnyMap &phaseNode) const override
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using ...
string type() const override
String indicating the thermodynamic model implemented.
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
void getActivityConcentrations(double *c) const override
This method returns an array of generalized concentrations.
void setPressure(double p) override
Set the internally stored pressure (Pa) at constant temperature and composition.
const vector< double > & gibbs_RT_ref() const
Returns a reference to the dimensionless reference state Gibbs free energy vector.
void getPartialMolarVolumes(double *vbar) const override
Return an array of partial molar volumes for the species in the mixture.
map< string, size_t > nativeState() const override
Return a map of properties defining the native state of a substance.
double cv_mole() const override
Molar heat capacity at constant volume of the solution.
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.
void getEnthalpy_RT(double *hrt) const override
Get the nondimensional Enthalpy functions for the species standard states at their standard states at...
vector< double > m_s0_R
Temporary storage for the reference state entropies at the current temperature.
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 ...
double entropy_mole() const override
Molar entropy of the solution. Units: J/kmol/K.
void setSiteDensity(double sitedens)
Set the density of lattice sites [kmol/m^3].
vector< double > m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
void getStandardVolumes(double *vol) const override
Get the molar volumes of the species standard states at the current T and P of the solution.
double cp_mole() const override
Molar heat capacity at constant pressure of the solution.
Units standardConcentrationUnits() const override
Returns the units of the "standard concentration" for this phase.
void getPartialMolarCp(double *cpbar) const override
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
void compositionChanged() override
Apply changes to the state which are needed after the composition changes.
double standardConcentration(size_t k=0) const override
Return the standard concentration for the kth species.
vector< double > m_cp0_R
Temporary storage for the reference state heat capacities.
double calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
void _updateThermo() const
Update the species reference state thermodynamic functions.
void getGibbs_RT_ref(double *grt) const override
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
void getActivityCoefficients(double *ac) const override
Get the array of non-dimensional activity coefficients at the current solution temperature,...
LatticePhase(const string &inputFile="", const string &id="")
Full constructor for a lattice phase.
void getPartialMolarEntropies(double *sbar) const override
Returns an array of partial molar entropies of the species in the solution.
const vector< double > & cp_R_ref() const
Returns a reference to the dimensionless reference state Heat Capacity vector.
double m_Pcurrent
The current pressure.
string name() const
Return the name of the phase.
Base class for a phase with thermodynamic properties.
A representation of the units associated with a dimensional quantity.
const double OneAtm
One atmosphere [Pa].
Namespace for the Cantera kernel.