equilib

equilib is a Python 3.6+ library to solve the equilibrium condition for aqueous solutions, using a Pitzer model (as implemented by pytzer) to evaluate chemical activities.

Development status

equilib is in pre-alpha, and it interacts closely with pytzer, which is in beta. Use at your own peril!

Modules

Module Purpose
equilib.dissoc Define functions for thermodynamic dissociation constants
equilib.balance Define balancing equations

Acknowledgements

equilib is maintained by Dr Matthew P. Humphreys at the Centre for Ocean and Atmospheric Sciences, School of Environmental Sciences, University of East Anglia, Norwich, UK.

Its ongoing development is funded by the Natural Environment Research Council (NERC, UK) through NSFGEO-NERC: A Thermodynamic Chemical Speciation Model for the Oceans, Seas, and Estuaries (PI Prof Simon Clegg, NE/P012361/1).

License

The entirety of equilib is licensed under the GNU General Public License version 3 (GPLv3).