chicolucio / solutions

Solubility and concentration database of common chemical substances.

Solutions

Solubility and concentration database of common chemical substances.

Data available

• Solubility of common salts at ambient temperatures. Solubility values are given in molality terms and temperature values in celsius. Reference: Rumble, J. CRC Handbook of Chemistry and Physics, 98th Edition, CRC Press LLC, 2017. [Data] [Tutorial]

• Aqueous solubility of 316 inorganic compounds at various temperatures. Solubility values are expressed as mass percent of solute. Reference: Rumble, J. CRC Handbook of Chemistry and Physics, 98th Edition, CRC Press LLC, 2017. [Data] [Tutorial]

Installation

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

Usage

See the tutorials files for each data set.

Under the hood - requirements

This project relies mainly on Pandas, SciPy, Matplotlib and chempy.

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

Citing

If you use this project in a scientific publication or in classes, please consider citing as

F. L. S. Bustamante, Solutions - Solubility and concentration database of common chemical substances., 2020 - Available at: https://github.com/chicolucio/solutions

solutions's Issues

Port to Streamlit

Fix molality salts tutorial (interpolation)

Due to commit 82ee362, interpolation is no longer a default, so the tutorial must be fixed.

I think that the user must be aware that interpolation is just a visual aid and not so reliable with few points. So now the user must activate this option.

Interpolation type should be user defined - solubility inorganic salts

Change the code so that the default interpolation, when activated, is linear but the user can change. Always linear with less than five points.

Possibility to convert values to another units

Convert values to mass percent of solute, mole fraction and mass of solute per 100 g of water.

Oxides regex in solubility_inorganic

There is probably a better regex for filtering oxides.