12#ifndef CT_GIBBSEXCESSVPSSTP_H
13#define CT_GIBBSEXCESSVPSSTP_H
184 "nonzero and nonimplemented");
222 virtual const vector_fp& getPartialMolarVolumesVector()
const;
225 virtual bool addSpecies(shared_ptr<Species> spec);
234 double checkMFSum(
const doublereal*
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.
virtual bool addSpecies(shared_ptr< Species > spec)
virtual void getdlnActCoeffdlnX(doublereal *dlnActCoeffdlnX) const
Get the array of log concentration-like derivatives of the log activity coefficients.
virtual void getdlnActCoeffdlnN(const size_t ld, doublereal *const dlnActCoeffdlnN)
Get the array of derivatives of the log activity coefficients with respect to the log of the species ...
Array2D dlnActCoeffdlnN_
Storage for the current derivative values of the gradients with respect to logarithm of the species m...
virtual void getActivityCoefficients(doublereal *ac) const
Get the array of non-dimensional molar-based activity coefficients at the current solution temperatur...
virtual doublereal logStandardConc(size_t k=0) const
Natural logarithm of the standard concentration of the kth species.
virtual void getPartialMolarVolumes(doublereal *vbar) const
Return an array of partial molar volumes for the species in the mixture.
virtual void getActivityConcentrations(doublereal *c) const
This method returns an array of generalized concentrations.
vector_fp dlnActCoeffdlnX_diag_
Storage for the current derivative values of the gradients with respect to logarithm of the mole frac...
vector_fp lnActCoeff_Scaled_
Storage for the current values of the activity coefficients of the species.
vector_fp d2lnActCoeffdT2_Scaled_
Storage for the current derivative values of the gradients with respect to temperature of the log of ...
vector_fp moleFractions_
Storage for the current values of the mole fractions of the species.
virtual Units standardConcentrationUnits() const
Returns the units of the "standard concentration" for this phase.
vector_fp dlnActCoeffdlnN_diag_
Storage for the current derivative values of the gradients with respect to logarithm of the mole frac...
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
virtual void getdlnActCoeffdT(doublereal *dlnActCoeffdT) const
Get the array of temperature derivatives of the log activity coefficients.
virtual void getActivities(doublereal *ac) const
Get the array of non-dimensional activities (molality based for this class and classes that derive fr...
double checkMFSum(const doublereal *const x) const
utility routine to check mole fraction sum
vector_fp dlnActCoeffdT_Scaled_
Storage for the current derivative values of the gradients with respect to temperature of the log of ...
void calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
virtual doublereal standardConcentration(size_t k=0) const
The standard concentration used to normalize the generalized concentration.
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.
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.