GibbsExcessVPSSTP.cpp Source File#
GibbsExcessVPSSTP.cpp
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Header for intermediate ThermoPhase object for phases which employ Gibbs excess free energy based for...
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
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
double logStandardConc(size_t k=0) const override
Natural logarithm of the standard concentration of the kth species.
Definition GibbsExcessVPSSTP.cpp:60
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
void getActivityConcentrations(double *c) const override
This method returns an array of generalized concentrations.
Definition GibbsExcessVPSSTP.cpp:50
void getPartialMolarVolumes(double *vbar) const override
Return an array of partial molar volumes for the species in the mixture.
Definition GibbsExcessVPSSTP.cpp:90
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
void calcDensity() override
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
Definition GibbsExcessVPSSTP.cpp:32
void getActivities(double *ac) const override
Get the array of non-dimensional activities (molality based for this class and classes that derive fr...
Definition GibbsExcessVPSSTP.cpp:65
Units standardConcentrationUnits() const override
Returns the units of the "standard concentration" for this phase.
Definition GibbsExcessVPSSTP.cpp:45
void compositionChanged() override
Apply changes to the state which are needed after the composition changes.
Definition GibbsExcessVPSSTP.cpp:24
double standardConcentration(size_t k=0) const override
The standard concentration used to normalize the generalized concentration.
Definition GibbsExcessVPSSTP.cpp:55
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition GibbsExcessVPSSTP.cpp:96
void getActivityCoefficients(double *ac) const override
Get the array of non-dimensional molar-based activity coefficients at the current solution temperatur...
Definition GibbsExcessVPSSTP.cpp:74
vector< double > dlnActCoeffdlnN_diag_
Storage for the current derivative values of the gradients with respect to logarithm of the mole frac...
Definition GibbsExcessVPSSTP.h:230
void assignDensity(const double density_)
Set the internally stored constant density (kg/m^3) of the phase.
Definition Phase.cpp:597
void getMoleFractions(double *const x) const
Get the species mole fraction vector.
Definition Phase.cpp:434
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
Definition Phase.cpp:905
virtual void getLnActivityCoefficients(double *lnac) const
Get the array of non-dimensional molar-based ln activity coefficients at the current solution tempera...
Definition ThermoPhase.cpp:68
A representation of the units associated with a dimensional quantity.
Definition Units.h:35
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
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition VPStandardStateTP.cpp:164
This file contains definitions for utility functions and text for modules, inputfiles and logging,...
Contains declarations for string manipulation functions within Cantera.
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