A simple script to plot phase diagrams.
A phase diagram in physical chemistry, engineering, mineralogy, and materials science is a type of chart used to show conditions (pressure, temperature, volume, etc.) at which thermodynamically distinct phases (such as solid, liquid or gaseous states) occur and coexist at equilibrium. More details on Wikipedia.
Peter Atkins defines in his book Physical Chemistry that "phase identifies a state of matter, not only about the chemical composition, but also concerning its physical state". This book that can be found at Amazon.
This project relies mainly on Matplotlib, SciPy, NumPy, Pandas and Pint.
Just clone or download this repo. This is not a package yet. We recommend creating an environment and install the requirements from the Pipfile file with pipenv.
For basic usage see this tutorial.
For plot customization see this tutorial.
For interactive plots see this tutorial.
For an example in Google Colab click here
All contributions are welcome.
Issues
Feel free to submit issues regarding:
- recommendations
- more examples for the tutorial
- enhancement requests and new useful features
- code bugs
Pull requests
- before starting to work on your pull request, please submit an issue first
- fork the repo
- clone the project to your own machine
- commit changes to your own branch
- push your work back up to your fork
- submit a pull request so that your changes can be reviewed
Tests can be run in the top-level directory with the command pytest -v tests/.
MIT, see LICENSE
If you use this project in a scientific publication or in classes, please consider citing as
F. L. S. Bustamante & F. H. J. F Da Silva, Phase diagram, 2020 - Available at: https://github.com/chicolucio/PhaseDiagram