A Python-based library to generate Pourbaix diagrams (potential/pH diagram)
Project description
PourPy
A Python-based library to generate Pourbaix diagrams (potential/pH diagram). PourPy is an open-source python package, capable of generating thermodynamic stability diagrams of solid phases and complexes in aqueous electrolytes. These so-called Pourbaix diagrams provide valuable information about the reactivity of chemical elements and compounds as a function of the electrochemical potential and the pH.
PourPy is intended as a tool, enabling users to inspect the reactivity of aqueous systems under full control of all chemical species considered. Users can define custom reactive systems containing elements, solid, aqueous and gaseous species thereof and build all (electro)chemical reactions to be displayed.
Dependencies
Here is the list of dependencies:
- argparse
- shapely (https://shapely.readthedocs.io/en/stable/)
- bokeh (for using bokeh as plotting backend)
- matplotlib (for using matplotlib as plotting backend)
- python (<= 3.10) and pip to install the Python package
Optional : For generationg documentation
- nbsphinx
- sphinx-autoapi
- sphinx_rtd_theme
Installation
Documentation
The latest documentation is available on readthedocs. Please refer to the documentation on how to use the PourPy package: pourbaix-diagrams.rtfd.io
Examples
For live and interacting examples mentioned in the documentation, please check the following link: Interactive examples
License
PyPourbaix is distributed under the terms of GNU LGPL v3
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.