RedlichKisterVPSSTP.cpp Source File#
RedlichKisterVPSSTP.cpp
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(see Thermodynamic Properties and class RedlichKisterVPSSTP).
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
virtual void resize(size_t n, size_t m, double v=0.0)
Resize the array, and fill the new entries with 'v'.
Definition Array.cpp:47
Base class for exceptions thrown by Cantera classes.
Definition ctexceptions.h:66
vector< double > d2lnActCoeffdT2_Scaled_
Storage for the current derivative values of the gradients with respect to temperature of the log of ...
Definition GibbsExcessVPSSTP.h:225
Array2D dlnActCoeffdlnN_
Storage for the current derivative values of the gradients with respect to logarithm of the species m...
Definition GibbsExcessVPSSTP.h:244
vector< double > lnActCoeff_Scaled_
Storage for the current values of the activity coefficients of the species.
Definition GibbsExcessVPSSTP.h:217
vector< double > dlnActCoeffdlnX_diag_
Storage for the current derivative values of the gradients with respect to logarithm of the mole frac...
Definition GibbsExcessVPSSTP.h:235
vector< double > moleFractions_
Storage for the current values of the mole fractions of the species.
Definition GibbsExcessVPSSTP.h:213
vector< double > dlnActCoeffdT_Scaled_
Storage for the current derivative values of the gradients with respect to temperature of the log of ...
Definition GibbsExcessVPSSTP.h:221
size_t speciesIndex(const string &name) const
Returns the index of a species named 'name' within the Phase object.
Definition Phase.cpp:129
shared_ptr< Species > species(const string &name) const
Return the Species object for the named species.
Definition Phase.cpp:856
double charge(size_t k) const
Dimensionless electrical charge of a single molecule of species k The charge is normalized by the the...
Definition Phase.h:538
void getdlnActCoeffds(const double dTds, const double *const dXds, double *dlnActCoeffds) const override
Get the change in activity coefficients wrt changes in state (temp, mole fraction,...
Definition RedlichKisterVPSSTP.cpp:412
void s_update_dlnActCoeff_dX_() const
Internal routine that calculates the derivative of the activity coefficients wrt the mole fractions.
Definition RedlichKisterVPSSTP.cpp:350
double enthalpy_mole() const override
Molar enthalpy. Units: J/kmol.
Definition RedlichKisterVPSSTP.cpp:53
void getPartialMolarEnthalpies(double *hbar) const override
Returns an array of partial molar enthalpies for the species in the mixture.
Definition RedlichKisterVPSSTP.cpp:91
void getChemPotentials(double *mu) const override
Get the species chemical potentials. Units: J/kmol.
Definition RedlichKisterVPSSTP.cpp:39
Array2D dlnActCoeff_dX_
Two dimensional array of derivatives of activity coefficients wrt mole fractions.
Definition RedlichKisterVPSSTP.h:441
vector< vector< double > > m_SE_m_ij
Entropy term for the binary mole fraction interaction of the excess Gibbs free energy expression.
Definition RedlichKisterVPSSTP.h:437
void getParameters(AnyMap &phaseNode) const override
Store the parameters of a ThermoPhase object such that an identical one could be reconstructed using ...
Definition RedlichKisterVPSSTP.cpp:165
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
Definition RedlichKisterVPSSTP.cpp:149
void getPartialMolarVolumes(double *vbar) const override
Return an array of partial molar volumes for the species in the mixture.
Definition RedlichKisterVPSSTP.cpp:140
vector< size_t > m_pSpecies_A_ij
vector of species indices representing species A in the interaction
Definition RedlichKisterVPSSTP.h:422
double cv_mole() const override
Molar heat capacity at constant volume. Units: J/kmol/K.
Definition RedlichKisterVPSSTP.cpp:86
void s_update_dlnActCoeff_dT() const
Update the derivative of the log of the activity coefficients wrt T.
Definition RedlichKisterVPSSTP.cpp:240
vector< size_t > m_pSpecies_B_ij
vector of species indices representing species B in the interaction
Definition RedlichKisterVPSSTP.h:429
void addBinaryInteraction(const string &speciesA, const string &speciesB, const double *excess_enthalpy, size_t n_enthalpy, const double *excess_entropy, size_t n_entropy)
Add a binary species interaction with the specified parameters.
Definition RedlichKisterVPSSTP.cpp:455
vector< vector< double > > m_HE_m_ij
Enthalpy term for the binary mole fraction interaction of the excess Gibbs free energy expression.
Definition RedlichKisterVPSSTP.h:433
double entropy_mole() const override
Molar entropy. Units: J/kmol/K.
Definition RedlichKisterVPSSTP.cpp:64
void getdlnActCoeffdT(double *dlnActCoeffdT) const override
Get the array of temperature derivatives of the log activity coefficients.
Definition RedlichKisterVPSSTP.cpp:285
double cp_mole() const override
Molar heat capacity at constant pressure. Units: J/kmol/K.
Definition RedlichKisterVPSSTP.cpp:75
void getPartialMolarCp(double *cpbar) const override
Returns an array of partial molar heat capacities for the species in the mixture.
Definition RedlichKisterVPSSTP.cpp:110
void initLengths()
Initialize lengths of local variables after all species have been identified.
Definition RedlichKisterVPSSTP.cpp:188
void getLnActivityCoefficients(double *lnac) const override
Get the array of non-dimensional molar-based ln activity coefficients at the current solution tempera...
Definition RedlichKisterVPSSTP.cpp:27
void s_update_dlnActCoeff_dlnX_diag() const
Internal routine that calculates the total derivative of the activity coefficients with respect to th...
Definition RedlichKisterVPSSTP.cpp:301
void s_update_lnActCoeff() const
Update the activity coefficients.
Definition RedlichKisterVPSSTP.cpp:193
void getdlnActCoeffdlnX_diag(double *dlnActCoeffdlnX_diag) const override
Get the array of ln mole fraction derivatives of the log activity coefficients - diagonal component o...
Definition RedlichKisterVPSSTP.cpp:436
RedlichKisterVPSSTP(const string &inputFile="", const string &id="")
Construct a RedlichKisterVPSSTP object from an input file.
Definition RedlichKisterVPSSTP.cpp:20
void getdlnActCoeffdlnN_diag(double *dlnActCoeffdlnN_diag) const override
Get the array of log species mole number derivatives of the log activity coefficients.
Definition RedlichKisterVPSSTP.cpp:425
void getd2lnActCoeffdT2(double *d2lnActCoeffdT2) const
Get the array of temperature second derivatives of the log activity coefficients.
Definition RedlichKisterVPSSTP.cpp:293
void getPartialMolarEntropies(double *sbar) const override
Returns an array of partial molar entropies for the species in the mixture.
Definition RedlichKisterVPSSTP.cpp:119
void getdlnActCoeffdlnN(const size_t ld, double *const dlnActCoeffdlnN) override
Get the array of derivatives of the log activity coefficients with respect to the log of the species ...
Definition RedlichKisterVPSSTP.cpp:444
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
virtual void initThermo()
Initialize the ThermoPhase object after all species have been set up.
Definition ThermoPhase.cpp:1016
void initThermoFile(const string &inputFile, const string &id)
Initialize a ThermoPhase object using an input file.
Definition ThermoPhase.cpp:995
void getEntropy_R(double *sr) const override
Get the array of nondimensional Entropy functions for the standard state species at the current T and...
Definition VPStandardStateTP.cpp:52
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 VPStandardStateTP.cpp:38
void getCp_R(double *cpr) const override
Get the nondimensional Heat Capacities at constant pressure for the species standard states at the cu...
Definition VPStandardStateTP.cpp:80
void getEnthalpy_RT(double *hrt) const override
Get the nondimensional Enthalpy functions for the species at their standard states at the current T a...
Definition VPStandardStateTP.cpp:46
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 VPStandardStateTP.cpp:86
Contains declarations for string manipulation functions within Cantera.
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