https://github.com/fxcoudert/bet_isotherms_reproducibility

https://github.com/fxcoudert/bet_isotherms_reproducibility

Last synced: 4 days ago
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• Host: GitHub
• URL: https://github.com/fxcoudert/bet_isotherms_reproducibility
• Owner: fxcoudert
• Created: 2020-06-07T12:51:17.000Z (over 4 years ago)
• Default Branch: master
• Last Pushed: 2022-05-27T16:50:25.000Z (over 2 years ago)
• Last Synced: 2024-06-13T12:52:41.552Z (5 months ago)
• Language: Jupyter Notebook
• Size: 1.4 MB
• Stars: 2
• Watchers: 2
• Forks: 4
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
# Brunauer–Emmett–Teller (BET) fitting of isotherms

This repository contains the code used for [BET adsorption isotherm fitting](https://en.wikipedia.org/wiki/BET_theory) in [our group](https://www.coudert.name). It is part of the crowd-science work performed in the following paper: [“How Reproducible are Surface Areas Calculated from the BET Equation?”](https://doi.org/10.1002/adma.202201502), J. W. M. Osterrieth et al., _Adv. Mater._, **2022**, DOI: [10.1002/adma.202201502](https://doi.org/10.1002/adma.202201502)

## Description

The code requires Python ≥ 3.6 and scientific packages `numpy`, `scipy`, and `matplotlib`. The code is stored in a module named `BET.py` and for each isotherm a Jupyter notebook is available showing the parameters chosen and the fit obtained (from [`A.ipynb`](A.ipynb) to [`R.ipynb`](R.ipynb)).

The typical criteria (from Rouquerol et al., _Is the BET Equation Applicable to Microporous Adsorbents?_) for fitting are automatically checked, and the quality of the least-square linear fit (_R_2 coefficient) is displayed. Both the BET function and the Rouquerol function are also plotted for visual confirmation of the fit.