36 for (
size_t i = 0; i <
m_kk; i++) {
69 for (
size_t k = 0; k <
m_kk; k++) {
77 for (
size_t k = 0; k <
m_kk; k++) {
80 }
else if (ac[k] < -700.) {
99 "Unused. To be removed after Cantera 3.0.");
106 "Unused. To be removed after Cantera 3.0");
107 double norm = std::accumulate(x, x +
m_kk, 0.0);
108 if (fabs(norm - 1.0) > 1.0E-9) {
110 "(MF sum - 1) exceeded tolerance of 1.0E-9: {}", norm);
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'.
Base class for exceptions thrown by Cantera classes.
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.
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...
void assignDensity(const double density_)
Set the internally stored constant density (kg/m^3) of the phase.
size_t m_kk
Number of species in the phase.
double meanMolecularWeight() const
The mean molecular weight. Units: (kg/kmol)
void getMoleFractions(double *const x) const
Get the species mole fraction vector.
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
virtual void getLnActivityCoefficients(double *lnac) const
Get the array of non-dimensional molar-based ln activity coefficients at the current solution tempera...
A representation of the units associated with a dimensional quantity.
void getStandardVolumes(double *vol) const override
Get the molar volumes of the species standard states at the current T and P of the solution.
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
This file contains definitions for utility functions and text for modules, inputfiles and logging,...
Namespace for the Cantera kernel.
void warn_deprecated(const string &source, const AnyBase &node, const string &message)
A deprecation warning for syntax in an input file.
Contains declarations for string manipulation functions within Cantera.