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13 #ifndef CT_IDEALSOLIDSOLNPHASE_H
14 #define CT_IDEALSOLIDSOLNPHASE_H
87 virtual std::string
type()
const {
88 return "IdealSolidSoln";
155 virtual doublereal
cp_mole()
const;
230 virtual void setDensity(
const doublereal rho);
524 virtual void getCp_R(doublereal* cpr)
const;
580 "To be removed after Cantera 2.5");
588 "To be removed after Cantera 2.5");
596 virtual bool addSpecies(shared_ptr<Species> spec);
void getSpeciesMolarVolumes(doublereal *smv) const
Fill in a return vector containing the species molar volumes.
virtual doublereal enthalpy_mole() const
Molar enthalpy of the solution.
virtual doublereal entropy_mole() const
Molar entropy of the solution.
const vector_fp & entropy_R_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
vector_fp m_s0_R
Vector containing the species reference entropies at T = m_tlast.
double speciesMolarVolume(int k) const
Report the molar volume of species k.
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
const vector_fp & gibbs_RT_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
vector_fp m_speciesMolarVolume
Vector of molar volumes for each species in the solution.
const vector_fp & cp_R_ref() const
Returns a reference to the vector of nondimensional enthalpies of the reference state at the current ...
virtual doublereal cp_mole() const
Molar heat capacity at constant pressure 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...
virtual void setDensity(const doublereal rho)
Overridden setDensity() function is necessary because the density is not an independent variable.
virtual void getPartialMolarCp(doublereal *cpbar) const
Returns an array of partial molar Heat Capacities at constant pressure of the species in the solution...
virtual void getChemPotentials(doublereal *mu) const
Get the species chemical potentials.
int m_formGC
The standard concentrations can have one of three different forms: 0 = 'unity', 1 = 'molar_volume',...
virtual void setToEquilState(const doublereal *mu_RT)
This method is used by the ChemEquil equilibrium solver.
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
virtual void setMolarDensity(const doublereal rho)
Overridden setMolarDensity() function is necessary because the density is not an independent variable...
virtual void getIntEnergy_RT_ref(doublereal *urt) const
Returns the vector of nondimensional internal Energies of the reference state at the current temperat...
virtual void getStandardChemPotentials(doublereal *mu0) const
Get the standard state chemical potentials of the species.
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...
vector_fp m_pp
Temporary array used in equilibrium calculations.
vector_fp m_pe
Vector of potential energies for the species.
virtual void getPartialMolarEntropies(doublereal *sbar) const
Returns an array of partial molar entropies of the species in the solution.
vector_fp m_expg0_RT
Vector containing the species reference exp(-G/RT) functions at T = m_tlast.
virtual void getChemPotentials_RT(doublereal *mu) const
Get the array of non-dimensional species solution chemical potentials at the current T and P .
IdealSolidSolnPhase(int formCG=0)
Constructor for IdealSolidSolnPhase.
virtual void getIntEnergy_RT(doublereal *urt) const
Returns the vector of nondimensional Internal Energies of the standard state species at the current T...
virtual bool addSpecies(shared_ptr< Species > spec)
virtual std::string type() const
String indicating the thermodynamic model implemented.
virtual doublereal pressure() const
Pressure.
doublereal m_Pcurrent
m_Pcurrent = The current pressure Since the density isn't a function of pressure, but only of the mol...
virtual void setPotentialEnergy(int k, doublereal pe)
Class XML_Node is a tree-based representation of the contents of an XML file.
virtual doublereal potentialEnergy(int k) const
Base class for a phase with thermodynamic properties.
void setStandardConcentrationModel(const std::string &model)
Set the form for the standard and generalized concentrations.
virtual void getEnthalpy_RT_ref(doublereal *hrt) const
Returns the vector of nondimensional enthalpies of the reference state at the current temperature of ...
virtual doublereal standardConcentration(size_t k) const
The standard concentration used to normalize the generalized concentration.
vector_fp m_g0_RT
Vector containing the species reference Gibbs functions at T = m_tlast.
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_cp0_R
Vector containing the species reference constant pressure heat capacities at T = m_tlast.
void calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
virtual Units standardConcentrationUnits() const
Returns the units of the "standard concentration" for this phase.
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 getEnthalpy_RT(doublereal *hrt) const
Get the array of nondimensional Enthalpy functions for the standard state species at the current T an...
virtual void getActivityCoefficients(doublereal *ac) const
Get the array of species activity coefficients.
virtual void _updateThermo() const
This function gets called for every call to functions in this class.
virtual void getActivityConcentrations(doublereal *c) const
This method returns the array of generalized concentrations.
virtual void getPureGibbs(doublereal *gpure) const
Get the Gibbs functions for the pure species at the current T and P of the solution.
A representation of the units associated with a dimensional quantity.
virtual void initThermo()
Initialize the ThermoPhase object after all species have been set up.
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...
Class IdealSolidSolnPhase represents a condensed phase ideal solution compound.
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_h0_RT
Vector containing the species reference enthalpies at T = m_tlast.
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 getPartialMolarVolumes(doublereal *vbar) const
returns an array of partial molar volumes of the species in the solution.
virtual void initThermoXML(XML_Node &phaseNode, const std::string &id)
Import and initialize a ThermoPhase object using an XML tree.
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.
virtual void getEntropy_R_ref(doublereal *er) const
Returns the vector of nondimensional entropies of the reference state at the current temperature of t...
Namespace for the Cantera kernel.
virtual doublereal gibbs_mole() const
Molar Gibbs free energy of the solution.
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 bool isCompressible() const
Return whether phase represents a compressible substance.
doublereal m_Pref
Value of the reference pressure for all species in this phase.
virtual void getPartialMolarEnthalpies(doublereal *hbar) const
Returns an array of partial molar enthalpies for the species in the mixture.