13 #ifndef CT_IDEALSOLIDSOLNPHASE_H 14 #define CT_IDEALSOLIDSOLNPHASE_H 84 virtual std::string
type()
const {
85 return "IdealSolidSoln";
148 virtual doublereal
cp_mole()
const;
221 virtual void setDensity(
const doublereal rho);
511 virtual void getCp_R(doublereal* cpr)
const;
564 virtual void setPotentialEnergy(
int k, doublereal pe) {
569 virtual doublereal potentialEnergy(
int k)
const {
577 virtual bool addSpecies(shared_ptr<Species> spec);
578 virtual void initThermoXML(XML_Node& phaseNode,
const std::string&
id);
virtual void getEntropy_R_ref(doublereal *er) const
Returns the vector of nondimensional entropies of the reference state at the current temperature of t...
virtual void initThermoXML(XML_Node &phaseNode, const std::string &id)
Import and initialize a ThermoPhase object using an XML tree.
virtual doublereal cp_mole() const
Molar heat capacity at constant pressure of the solution.
vector_fp m_pp
Temporary array used in equilibrium calculations.
virtual void getPartialMolarVolumes(doublereal *vbar) const
returns an array of partial molar volumes of the species in the solution.
virtual void getIntEnergy_RT(doublereal *urt) const
Returns the vector of nondimensional Internal Energies of the standard state species at the current T...
virtual void getCp_R_ref(doublereal *cprt) const
Returns the vector of nondimensional constant pressure heat capacities of the reference state at the ...
virtual void getChemPotentials(doublereal *mu) const
Get the species chemical potentials.
void calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input...
Class XML_Node is a tree-based representation of the contents of an XML file.
const vector_fp & gibbs_RT_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
virtual void setPressure(doublereal p)
Set the pressure at constant temperature.
virtual doublereal cv_mole() const
Molar heat capacity at constant volume of the solution.
vector_fp m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
Base class for a phase with thermodynamic properties.
virtual void getGibbs_RT(doublereal *grt) const
Get the nondimensional Gibbs function for the species standard states at the current T and P of the s...
double speciesMolarVolume(int k) const
Report the molar volume of species k.
virtual void getPartialMolarEntropies(doublereal *sbar) const
Returns an array of partial molar entropies of the species in the solution.
int m_formGC
The standard concentrations can have one of three different forms: 0 = 'unity', 1 = 'molar_volume'...
doublereal m_Pcurrent
m_Pcurrent = The current pressure Since the density isn't a function of pressure, but only of the mol...
const vector_fp & cp_R_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
virtual void getActivityCoefficients(doublereal *ac) const
Get the array of species activity coefficients.
virtual doublereal gibbs_mole() const
Molar Gibbs free energy of the solution.
doublereal m_Pref
Value of the reference pressure for all species in this phase.
virtual void getStandardChemPotentials(doublereal *mu0) const
Get the standard state chemical potentials of the species.
virtual doublereal standardConcentration(size_t k) const
The standard concentration used to normalize the generalized concentration.
virtual void getActivityConcentrations(doublereal *c) const
This method returns the array of generalized concentrations.
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
virtual void getIntEnergy_RT_ref(doublereal *urt) const
Returns the vector of nondimensional internal Energies of the reference state at the current temperat...
vector_fp m_expg0_RT
Vector containing the species reference exp(-G/RT) functions at T = m_tlast.
virtual void getPartialMolarEnthalpies(doublereal *hbar) const
Returns an array of partial molar enthalpies for the species in the mixture.
const vector_fp & enthalpy_RT_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
virtual void getEntropy_R(doublereal *sr) const
Get the nondimensional Entropies for the species standard states at the current T and P of the soluti...
virtual void setToEquilState(const doublereal *lambda_RT)
This method is used by the ChemEquil equilibrium solver.
virtual bool addSpecies(shared_ptr< Species > spec)
virtual void getEnthalpy_RT_ref(doublereal *hrt) const
Returns the vector of nondimensional enthalpies of the reference state at the current temperature of ...
virtual void getGibbs_RT_ref(doublereal *grt) const
Returns the vector of nondimensional Gibbs Free Energies of the reference state at the current temper...
vector_fp m_cp0_R
Vector containing the species reference constant pressure heat capacities at T = m_tlast.
virtual void setMolarDensity(const doublereal rho)
Overridden setMolarDensity() function is necessary because the density is not an independent variable...
virtual std::string type() const
String indicating the thermodynamic model implemented.
virtual void getStandardVolumes(doublereal *vol) const
Get the molar volumes of the species standard states at the current T and P of the solution...
virtual void getChemPotentials_RT(doublereal *mu) const
Get the array of non-dimensional species solution chemical potentials at the current T and P ...
Class IdealSolidSolnPhase represents a condensed phase ideal solution compound.
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
const vector_fp & entropy_R_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
void _updateThermo() const
This function gets called for every call to functions in this class.
virtual void setDensity(const doublereal rho)
Overridden setDensity() function is necessary because the density is not an independent variable...
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...
vector_fp m_h0_RT
Vector containing the species reference enthalpies at T = m_tlast.
virtual void getPureGibbs(doublereal *gpure) const
Get the Gibbs functions for the pure species at the current T and P of the solution.
virtual void getCp_R(doublereal *cpr) const
Get the nondimensional heat capacity at constant pressure function for the species standard states at...
vector_fp m_pe
Vector of potential energies for the species.
Namespace for the Cantera kernel.
void getSpeciesMolarVolumes(doublereal *smv) const
Fill in a return vector containing the species molar volumes.
Header file for class ThermoPhase, the base class for phases with thermodynamic properties, and the text for the Module thermoprops (see Thermodynamic Properties and class ThermoPhase).
virtual doublereal pressure() const
Pressure.
virtual void getPartialMolarCp(doublereal *cpbar) const
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
virtual doublereal enthalpy_mole() const
Molar enthalpy of the solution.
void setStandardConcentrationModel(const std::string &model)
Set the form for the standard and generalized concentrations.
IdealSolidSolnPhase(int formCG=0)
Constructor for IdealSolidSolnPhase.
virtual void getEnthalpy_RT(doublereal *hrt) const
Get the array of nondimensional Enthalpy functions for the standard state species at the current T an...
virtual doublereal entropy_mole() const
Molar entropy of the solution.
vector_fp m_s0_R
Vector containing the species reference entropies at T = m_tlast.
vector_fp m_g0_RT
Vector containing the species reference Gibbs functions at T = m_tlast.