MolalityVPSSTP.h Source File#
MolalityVPSSTP.h
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Header file for a derived class of ThermoPhase that handles variable pressure standard state methods ...
A map of string keys to values whose type can vary at runtime.
Definition AnyMap.h:427
MolalityVPSSTP is a derived class of ThermoPhase that handles variable pressure standard state method...
Definition MolalityVPSSTP.h:227
int activityConvention() const override
We set the convention to molality here.
Definition MolalityVPSSTP.cpp:181
void setState(const AnyMap &state) override
Set the state using an AnyMap containing any combination of properties supported by the thermodynamic...
Definition MolalityVPSSTP.cpp:252
void setMolalitiesByName(const Composition &xMap)
Set the molalities of a phase.
Definition MolalityVPSSTP.cpp:105
double m_Mnaught
This is the multiplication factor that goes inside log expressions involving the molalities of specie...
Definition MolalityVPSSTP.h:612
void initThermo() override
Initialize the ThermoPhase object after all species have been set up.
Definition MolalityVPSSTP.cpp:269
void getActivityConcentrations(double *c) const override
This method returns an array of generalized concentrations.
Definition MolalityVPSSTP.cpp:186
int pHScale() const
Reports the pH scale, which determines the scale for single-ion activity coefficients.
Definition MolalityVPSSTP.cpp:40
virtual void getMolalityActivityCoefficients(double *acMolality) const
Get the array of non-dimensional molality based activity coefficients at the current solution tempera...
Definition MolalityVPSSTP.cpp:210
void setpHScale(const int pHscaleType)
Set the pH scale, which determines the scale for single-ion activity coefficients.
Definition MolalityVPSSTP.cpp:31
double m_xmolSolventMIN
In any molality implementation, it makes sense to have a minimum solvent mole fraction requirement,...
Definition MolalityVPSSTP.h:607
vector< double > m_molalities
Current value of the molalities of the species in the phase.
Definition MolalityVPSSTP.h:616
virtual void applyphScale(double *acMolality) const
Apply the current phScale to a set of activity Coefficients or activities.
Definition MolalityVPSSTP.cpp:282
int m_pHScalingType
Scaling to be used for output of single-ion species activity coefficients.
Definition MolalityVPSSTP.h:588
void setMolalities(const double *const molal)
Set the molalities of the solutes in a phase.
Definition MolalityVPSSTP.cpp:78
void getMolalities(double *const molal) const
This function will return the molalities of the species.
Definition MolalityVPSSTP.cpp:70
void setMoleFSolventMin(double xmolSolventMIN)
Sets the minimum mole fraction in the molality formulation.
Definition MolalityVPSSTP.cpp:45
virtual double osmoticCoefficient() const
Calculate the osmotic coefficient.
Definition MolalityVPSSTP.cpp:216
double moleFSolventMin() const
Returns the minimum mole fraction in the molality formulation.
Definition MolalityVPSSTP.cpp:55
void setState_TPM(double t, double p, const double *const molalities)
Set the temperature (K), pressure (Pa), and molalities (gmol kg-1) of the solutes.
Definition MolalityVPSSTP.cpp:234
void getActivities(double *ac) const override
Get the array of non-dimensional activities (molality based for this class and classes that derive fr...
Definition MolalityVPSSTP.cpp:196
virtual void getUnscaledMolalityActivityCoefficients(double *acMolality) const
Get the array of unscaled non-dimensional molality based activity coefficients at the current solutio...
Definition MolalityVPSSTP.cpp:277
void calcMolalities() const
Calculates the molality of all species and stores the result internally.
Definition MolalityVPSSTP.cpp:60
double standardConcentration(size_t k=0) const override
Return the standard concentration for the kth species.
Definition MolalityVPSSTP.cpp:191
bool addSpecies(shared_ptr< Species > spec) override
Add a Species to this Phase.
Definition MolalityVPSSTP.cpp:343
void getActivityCoefficients(double *ac) const override
Get the array of non-dimensional activity coefficients at the current solution temperature,...
Definition MolalityVPSSTP.cpp:201
string phaseOfMatter() const override
String indicating the mechanical phase of the matter in this Phase.
Definition MolalityVPSSTP.h:246
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 MolalityVPSSTP.h:535
string report(bool show_thermo=true, double threshold=1e-14) const override
returns a summary of the state of the phase as a string
Definition MolalityVPSSTP.cpp:357
This is a filter class for ThermoPhase that implements some preparatory steps for efficiently handlin...
Definition VPStandardStateTP.h:44
const int PHSCALE_PITZER
Scale to be used for the output of single-ion activity coefficients is that used by Pitzer.
Definition MolalityVPSSTP.h:44
const int PHSCALE_NBS
Scale to be used for evaluation of single-ion activity coefficients is that used by the NBS standard ...
Definition MolalityVPSSTP.h:69
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