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Brunauer–Emmett–Teller (BET) fitting of isotherms

This repository contains the code used for BET adsorption isotherm fitting in our group. It is part of the crowd-science work performed in the following paper: “How Reproducible are Surface Areas Calculated from the BET Equation?”, J. W. M. Osterrieth et al., Adv. Mater., 2022, DOI: 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 to 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 (R2 coefficient) is displayed. Both the BET function and the Rouquerol function are also plotted for visual confirmation of the fit.

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