Supporting information for: “How Reproducible are Surface Areas Calculated from the BET Equation?”, J. W. M. Osterrieth et al., Adv. Mater., 2022, 34 (27), 2201502, DOI: 10.1002/adma.202201502
A first version of this paper was posted as a preprint on ChemRxiv.
BET fitting:
The code used for BET fitting in our group is available to all in a Github repository at https://github.com/fxcoudert/BET_isotherms_reproducibility
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.