https://github.com/chicolucio/phasediagram

https://github.com/chicolucio/phasediagram

Last synced: 7 months ago
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• Host: GitHub
• URL: https://github.com/chicolucio/phasediagram
• Owner: chicolucio
• License: mit
• Created: 2020-08-27T00:26:55.000Z (about 5 years ago)
• Default Branch: master
• Last Pushed: 2021-07-22T22:08:34.000Z (about 4 years ago)
• Last Synced: 2025-01-25T17:41:24.936Z (9 months ago)
• Language: Jupyter Notebook
• Size: 6.5 MB
• Stars: 1
• Watchers: 3
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# Phase diagram

![Phase diagram](phase_diagram_water.png)

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](https://en.wikipedia.org/wiki/Phase_diagram).

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](https://www.amazon.com/Physical-Chemistry-9th-Peter-Atkins/dp/1429218126/ref=sr_1_5?keywords=physical+chemistry+nine+edition&qid=1583607029&sr=8-5).

# Installation and requirements

This project relies mainly on [Matplotlib](https://www.matplotlib.org/), [SciPy](https://www.scipy.org/), [NumPy](https://numpy.org/), [Pandas](https://pandas.pydata.org/) and [Pint](https://pint.readthedocs.io/en/stable/).

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`](https://github.com/pypa/pipenv).

# Usage

For basic usage see [this tutorial](Tutorial_basico.ipynb).

For plot customization see [this tutorial](Tutorial_graficos_personalizaveis.ipynb).

For interactive plots see [this tutorial](Tutorial_interativo.ipynb).

For an example in Google Colab [click here](https://colab.research.google.com/github/chicolucio/PhaseDiagram/blob/master/Tutorial_interativo_colab.ipynb)

# Contributing

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

# Testing

Tests can be run in the top-level directory with the command `pytest -v tests/`.

# License

MIT, see [LICENSE](LICENSE)

# Citing

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