12#ifndef CT_GIBBSEXCESSVPSSTP_H
13#define CT_GIBBSEXCESSVPSSTP_H
160 "nonzero and nonimplemented");
202 bool addSpecies(shared_ptr<Species> spec)
override;
212 double checkMFSum(
const double*
const x)
const;
Header file for class Cantera::Array2D.
Header file for a derived class of ThermoPhase that handles variable pressure standard state methods ...
A class for 2D arrays stored in column-major (Fortran-compatible) form.
GibbsExcessVPSSTP is a derived class of ThermoPhase that handles variable pressure standard state met...
vector< double > d2lnActCoeffdT2_Scaled_
Storage for the current derivative values of the gradients with respect to temperature of the log of ...
double logStandardConc(size_t k=0) const override
Natural logarithm of the standard concentration of the kth species.
Array2D dlnActCoeffdlnN_
Storage for the current derivative values of the gradients with respect to logarithm of the species m...
virtual const vector< double > & getPartialMolarVolumesVector() const
double checkMFSum(const double *const x) const
utility routine to check mole fraction sum
vector< double > lnActCoeff_Scaled_
Storage for the current values of the activity coefficients of the species.
void getActivityConcentrations(double *c) const override
This method returns an array of generalized concentrations.
void getPartialMolarVolumes(double *vbar) const override
Return an array of partial molar volumes for the species in the mixture.
vector< double > dlnActCoeffdlnX_diag_
Storage for the current derivative values of the gradients with respect to logarithm of the mole frac...
vector< double > moleFractions_
Storage for the current values of the mole fractions of the species.
vector< double > dlnActCoeffdT_Scaled_
Storage for the current derivative values of the gradients with respect to temperature of the log of ...
void calcDensity() override
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
virtual void getdlnActCoeffdT(double *dlnActCoeffdT) const
Get the array of temperature derivatives of the log activity coefficients.
void getActivities(double *ac) const override
Get the array of non-dimensional activities (molality based for this class and classes that derive fr...
Units standardConcentrationUnits() const override
Returns the units of the "standard concentration" for this phase.
void compositionChanged() override
Apply changes to the state which are needed after the composition changes.
double standardConcentration(size_t k=0) const override
The standard concentration used to normalize the generalized concentration.
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
void getActivityCoefficients(double *ac) const override
Get the array of non-dimensional molar-based activity coefficients at the current solution temperatur...
vector< double > dlnActCoeffdlnN_diag_
Storage for the current derivative values of the gradients with respect to logarithm of the mole frac...
virtual void getdlnActCoeffdlnX(double *dlnActCoeffdlnX) const
Get the array of log concentration-like derivatives of the log activity coefficients.
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 ...
An error indicating that an unimplemented function has been called.
A representation of the units associated with a dimensional quantity.
This is a filter class for ThermoPhase that implements some preparatory steps for efficiently handlin...
Namespace for the Cantera kernel.