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241 LatticePhase(
const std::string& inputFile,
const std::string&
id =
"");
253 virtual std::string
type()
const {
262 return { {
"T", 0}, {
"P", 1}, {
"X", 2} };
316 virtual doublereal
cp_mole()
const;
329 virtual doublereal
cv_mole()
const;
568 virtual void getCp_R(doublereal* cpr)
const;
584 const vector_fp& enthalpy_RT_ref()
const;
616 virtual bool addSpecies(shared_ptr<Species> spec);
virtual void getPartialMolarCp(doublereal *cpbar) const
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
vector_fp m_h0_RT
Reference state enthalpies / RT.
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
virtual bool isCompressible() const
Return whether phase represents a compressible substance.
virtual doublereal cp_mole() const
Molar heat capacity at constant pressure of the solution.
virtual doublereal pressure() const
In this equation of state implementation, the density is a function only of the mole fractions.
virtual void getPureGibbs(doublereal *gpure) const
Get the Gibbs functions for the standard state of the species at the current T and P of the solution.
doublereal m_site_density
Site Density of the lattice solid.
A simple thermodynamic model for a bulk phase, assuming a lattice of solid atoms.
virtual void getEntropy_R(doublereal *sr) const
Get the array of nondimensional Entropy functions for the species standard states at the current T an...
const vector_fp & cp_R_ref() const
Returns a reference to the dimensionless reference state Heat Capacity vector.
virtual void getGibbs_ref(doublereal *g) const
Returns the vector of the Gibbs function of the reference state at the current temperature of the sol...
virtual void setPressure(doublereal p)
Set the internally stored pressure (Pa) at constant temperature and composition.
virtual doublereal logStandardConc(size_t k=0) const
Natural logarithm of the standard concentration of the kth species.
virtual doublereal standardConcentration(size_t k=0) const
Return the standard concentration for the kth species.
doublereal calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
vector_fp m_g0_RT
Temporary storage for the reference state Gibbs energies.
virtual void getCp_R(doublereal *cpr) const
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
virtual void getStandardVolumes(doublereal *vol) const
Get the molar volumes of the species standard states at the current T and P of the solution.
vector_fp m_s0_R
Temporary storage for the reference state entropies at the current temperature.
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
virtual doublereal cv_mole() const
Molar heat capacity at constant volume of the solution.
virtual void getPartialMolarVolumes(doublereal *vbar) const
Return an array of partial molar volumes for the species in the mixture.
virtual std::string type() const
String indicating the thermodynamic model implemented.
void setSiteDensity(double sitedens)
Set the density of lattice sites [kmol/m^3].
virtual void getGibbs_RT(doublereal *grt) const
Get the nondimensional Gibbs functions for the species standard states at the current T and P of the ...
virtual void setParametersFromXML(const XML_Node &eosdata)
Set equation of state parameter values from XML entries.
virtual void getEnthalpy_RT(doublereal *hrt) const
Get the nondimensional Enthalpy functions for the species standard states at their standard states at...
virtual doublereal enthalpy_mole() const
Return the Molar Enthalpy. Units: J/kmol.
virtual void getPartialMolarEntropies(doublereal *sbar) const
Returns an array of partial molar entropies of the species in the solution.
virtual Units standardConcentrationUnits() const
The activity of a species in solution is related to the chemical potential by.
virtual void getChemPotentials(doublereal *mu) const
Get the species chemical potentials. Units: J/kmol.
Class XML_Node is a tree-based representation of the contents of an XML file.
doublereal m_Pcurrent
The current pressure.
vector_fp m_cp0_R
Temporary storage for the reference state heat capacities.
virtual void getGibbs_RT_ref(doublereal *grt) const
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
Base class for a phase with thermodynamic properties.
virtual void getActivityConcentrations(doublereal *c) const
This method returns an array of generalized concentrations.
virtual void initThermo()
Initialize the ThermoPhase object after all species have been set up.
virtual void getActivityCoefficients(doublereal *ac) const
Get the array of non-dimensional activity coefficients at the current solution temperature,...
virtual doublereal entropy_mole() const
Molar entropy of the solution. Units: J/kmol/K.
void _updateThermo() const
Update the species reference state thermodynamic functions.
std::map< std::string, size_t > nativeState() const
Return a map of properties defining the native state of a substance.
const vector_fp & gibbs_RT_ref() const
Returns a reference to the dimensionless reference state Gibbs free energy vector.
vector_fp m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
A representation of the units associated with a dimensional quantity.
const vector_fp & entropy_R_ref() const
Returns a reference to the dimensionless reference state Entropy vector.
virtual void getStandardChemPotentials(doublereal *mu) const
Get the array of chemical potentials at unit activity for the species at their standard states at the...
LatticePhase()
Base Empty constructor.
virtual void getPartialMolarEnthalpies(doublereal *hbar) const
Returns an array of partial molar enthalpies for the species in the mixture.
doublereal m_Pref
Reference state pressure.
Namespace for the Cantera kernel.
virtual bool addSpecies(shared_ptr< Species > spec)