The namespace of all chemical property functions. More...
Functions | |
auto | ionicStrength (const ChemicalSystem &system) -> ChemicalPropertyFunction |
Return the ionic strength of the aqueous phase. More... | |
auto | pH (const ChemicalSystem &system) -> ChemicalPropertyFunction |
Return the pH of the system. More... | |
auto | pE (const ChemicalSystem &system) -> ChemicalPropertyFunction |
Return the pE of the system. More... | |
auto | pE (const ChemicalSystem &system, const ReactionEquation &reaction) -> ChemicalPropertyFunction |
Return the pE of the system calculated using a given half reaction. More... | |
auto | Eh (const ChemicalSystem &system) -> ChemicalPropertyFunction |
Return the reduction potential of the system (in units of V). More... | |
auto | Eh (const ChemicalSystem &system, const ReactionEquation &reaction) -> ChemicalPropertyFunction |
Return the reduction potential of the system calculated using a given half reaction (in units of V). More... | |
auto | alkalinity (const ChemicalSystem &system) -> ChemicalPropertyFunction |
Return the total alkalinity of the aqueous phase (in units of eq/L). More... | |
Detailed Description
The namespace of all chemical property functions.
- See also
- ChemicalPropertyFunction
Function Documentation
◆ ionicStrength()
auto ionicStrength | ( | const ChemicalSystem & | system | ) | -> ChemicalPropertyFunction |
Return the ionic strength of the aqueous phase.
If the chemical system has no aqueous phase, then zero is returned.
◆ pH()
auto pH | ( | const ChemicalSystem & | system | ) | -> ChemicalPropertyFunction |
Return the pH of the system.
The aqueous phase must have a hydron species named either H+, H+(aq), or H[+]. If the chemical system has no aqueous phase, then zero is returned.
◆ pE() [1/2]
auto pE | ( | const ChemicalSystem & | system | ) | -> ChemicalPropertyFunction |
Return the pE of the system.
This methods calculates pE using the dual chemical potential of charge element. This is an alternative approach to using a half reaction (Kulik, 2006). If the chemical system has no aqueous phase, then zero is returned.
◆ pE() [2/2]
auto pE | ( | const ChemicalSystem & | system, |
const ReactionEquation & | reaction | ||
) | -> ChemicalPropertyFunction |
Return the pE of the system calculated using a given half reaction.
Use this method to specify a half reaction for the calculation of pE. For example:
Note that the electro species e-
must be present in the half reaction. If the chemical system has no aqueous phase, then zero is returned.
◆ Eh() [1/2]
auto Eh | ( | const ChemicalSystem & | system | ) | -> ChemicalPropertyFunction |
Return the reduction potential of the system (in units of V).
This methods calculates Eh using the dual chemical potential of charge element. This is an alternative approach to using a half reaction (Kulik, 2006). If the chemical system has no aqueous phase, then zero is returned.
◆ Eh() [2/2]
auto Eh | ( | const ChemicalSystem & | system, |
const ReactionEquation & | reaction | ||
) | -> ChemicalPropertyFunction |
Return the reduction potential of the system calculated using a given half reaction (in units of V).
Use this method to specify a half reaction for the calculation of Eh. For example:
Note that the electro species e-
must be present in the half reaction. If the chemical system has no aqueous phase, then zero is returned.
◆ alkalinity()
auto alkalinity | ( | const ChemicalSystem & | system | ) | -> ChemicalPropertyFunction |
Return the total alkalinity of the aqueous phase (in units of eq/L).
The total alkalinity (Alk) of the aqueous phase is by default calculated as the acid neutralizing capacity (ANC) of the solution using the formula:
\[ \mathrm{Alk=[Na^{+}]+[K^{+}]+2[Ca^{2+}]+2[Mg^{2+}]-[Cl^{-}]-2[SO_{4}^{2-}]}, \]
where \([\mathrm{species}]\) is the free molar concentration (mol/L) of the species in the solution. This formula is simpler, derived from the charge balance condition, and equivalent to the formula of total alkalinity.
The indices of the aqueous species that contribute to alkalinity
The contribution factors of the aqueous species that contribute to alkalinity