How reproducible are surface areas calculated from the BET equation?

Abstract

Porosity and surface area analysis play a prominent role in modern materials science. At the heart of this sits the Brunauer-Emmett-Teller (BET) theory, which has been a remarkably successful contribution to the field of materials science. The BET method was developed in the 1930s for open surfaces but is now the most widely used metric for the estimation of surface areas of micro- and mesoporous materials. Despite its widespread use, the calculation of BET surface areas causes a spread in reported areas, resulting in reproducibility problems in both academia and industry. To prove this, for this analysis, 18 already-measured raw adsorption isotherms were provided to sixty-one labs, who were asked to calculate the corresponding BET areas. This round-robin exercise resulted in a wide range of values. Here, the reproducibility of BET area determination from identical isotherms is demonstrated to be a largely ignored issue, raising critical concerns over the reliability of reported BET areas. To solve this major issue, a new computational approach to accurately and systematically determine the BET area of nanoporous materials is developed. The software, called "BET surface identification" (BETSI), expands on the well-known Rouquerol criteria and makes an unambiguous BET area assignment possible.

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Item Type:	Article
Authors/Creators:	Osterrieth, JWM Rampersad, J Madden, D Rampal, N Skoric, L Connolly, B Allendorf, MD Stavila, V Snider, JL Ameloot, R Marreiros, J Ania, C Azevedo, D Vilarrasa-Garcia, E Santos, BF Bu, X-H Chang, Z Bunzen, H Champness, NR Griffin, SL Chen, B Lin, R-B Coasne, B Cohen, S Moreton, JC Colón, YJ Chen, L Clowes, R Coudert, F-X Cui, Y Hou, B D'Alessandro, DM Doheny, PW Dincă, M Sun, C Doonan, C Huxley, MT Evans, JD Falcaro, P Ricco, R Farha, O Idrees, KB Islamoglu, T Feng, P Yang, H Forgan, RS Bara, D Furukawa, S Sanchez, E Gascon, J Telalović, S Ghosh, SK Mukherjee, S Hill, MR Sadiq, MM Horcajada, P Salcedo-Abraira, P Kaneko, K Kukobat, R Kenvin, J Keskin, S Kitagawa, S Otake, K-I Lively, RP DeWitt, SJA Llewellyn, P Lotsch, BV Emmerling, ST Pütz, AM Martí-Gastaldo, C Padial, NM García-Martínez, J Linares, N Maspoch, D Suárez Del Pino, JA Moghadam, P Oktavian, R https://orcid.org/0000-0003-0701-4213 Morris, RE Wheatley, PS Navarro, J Petit, C Danaci, D Rosseinsky, MJ Katsoulidis, AP Schröder, M Han, X Yang, S Serre, C Mouchaham, G Sholl, DS Thyagarajan, R Siderius, D Snurr, RQ Goncalves, RB Telfer, S Lee, SJ Ting, VP Rowlandson, JL Uemura, T Iiyuka, T van der Veen, MA Rega, D Van Speybroeck, V Rogge, SMJ Lamaire, A Walton, KS Bingel, LW Wuttke, S Andreo, J Yaghi, O Zhang, B Yavuz, CT Nguyen, TS Zamora, F Montoro, C Zhou, H Kirchon, A Fairen-Jimenez, D
Copyright, Publisher and Additional Information:	© 2022 The Authors. Advanced Materials published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited (http://creativecommons.org/licenses/by/4.0/).
Keywords:	adsorption; BET theory; porosimetry; porous materials; surface area
Dates:	Published: 7 July 2022 Published (online): 23 May 2022
Institution:	The University of Sheffield
Academic Units:	The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Chemical and Biological Engineering (Sheffield)
Depositing User:	Symplectic Sheffield
Date Deposited:	25 May 2022 11:16
Last Modified:	20 Jul 2022 10:37
Status:	Published
Publisher:	Wiley
Refereed:	Yes
Identification Number:	10.1002/adma.202201502
Related URLs:	PubMed URL
Open Archives Initiative ID (OAI ID):	oai:eprints.whiterose.ac.uk:187341

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How reproducible are surface areas calculated from the BET equation?

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