https://github.com/chicolucio/kinetics_generator

Generates chemical kinetics data.
https://github.com/chicolucio/kinetics_generator

chemical-kinetics chemistry kinetics python science scipy uncertainties

Last synced: about 2 months ago
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Generates chemical kinetics data.

• Host: GitHub
• URL: https://github.com/chicolucio/kinetics_generator
• Owner: chicolucio
• License: mit
• Created: 2020-03-05T19:52:07.000Z (almost 5 years ago)
• Default Branch: master
• Last Pushed: 2020-03-05T19:53:46.000Z (almost 5 years ago)
• Last Synced: 2024-05-01T16:00:30.653Z (8 months ago)
• Topics: chemical-kinetics, chemistry, kinetics, python, science, scipy, uncertainties
• Language: Jupyter Notebook
• Size: 707 KB
• Stars: 5
• Watchers: 2
• Forks: 0
• Open Issues: 2
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# Kinetics generator

Generates chemical kinetics data.

![plot_example](saves/ex01_ln_conc.png)

Sometimes, as a chemistry teacher or professor, we want a data set so that

students can practice some concepts. This project generates chemical kinetics

data so that the educator can elaborate questions asking for the order and rate

constant for a given data set. The module can also simulates uncertainties

allowing the educator to explore error propagation and related subjects.

## Installation

Just clone or download this repo. This is not a package (yet, maybe someday :-))

## Usage

See the [tutorial file](kinetics_generator_tutorial.ipynb).

## Under the hood - requirements

This project relies mainly on [SciPy](https://www.scipy.org/),

[Matplotlib](https://matplotlib.org/), [numpy](https://numpy.org/) and

[uncertainties](https://pythonhosted.org/uncertainties/).

## 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

## 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, *Kinetics generator*, 2020 - Available at:

https://github.com/chicolucio/kinetics_generator