Literature DB >> 35603497

How Reproducible are Surface Areas Calculated from the BET Equation?

Johannes W M Osterrieth1, James Rampersad1, David Madden1, Nakul Rampal1, Luka Skoric2, Bethany Connolly1, Mark D Allendorf3, Vitalie Stavila3, Jonathan L Snider3, Rob Ameloot4, João Marreiros4, Conchi Ania5, Diana Azevedo6, Enrique Vilarrasa-Garcia6, Bianca F Santos6, Xian-He Bu7, Ze Chang7, Hana Bunzen8, Neil R Champness9, Sarah L Griffin9, Banglin Chen10, Rui-Biao Lin10, Benoit Coasne11, Seth Cohen12, Jessica C Moreton12, Yamil J Colón13, Linjiang Chen14, Rob Clowes14, François-Xavier Coudert15, Yong Cui16, Bang Hou16, Deanna M D'Alessandro17, Patrick W Doheny17, Mircea Dincă18, Chenyue Sun18, Christian Doonan19, Michael Thomas Huxley19, Jack D Evans20, Paolo Falcaro21, Raffaele Ricco21, Omar Farha22, Karam B Idrees22, Timur Islamoglu22, Pingyun Feng23, Huajun Yang23, Ross S Forgan24, Dominic Bara24, Shuhei Furukawa25, Eli Sanchez25, Jorge Gascon26, Selvedin Telalović26, Sujit K Ghosh27, Soumya Mukherjee27, Matthew R Hill28,29, Muhammed Munir Sadiq28,29, Patricia Horcajada30, Pablo Salcedo-Abraira30, Katsumi Kaneko31, Radovan Kukobat31, Jeff Kenvin32, Seda Keskin33, Susumu Kitagawa34, Ken-Ichi Otake34, Ryan P Lively35, Stephen J A DeWitt35, Phillip Llewellyn36, Bettina V Lotsch37,38, Sebastian T Emmerling37,38, Alexander M Pütz37,38, Carlos Martí-Gastaldo39, Natalia M Padial39, Javier García-Martínez40, Noemi Linares40, Daniel Maspoch41,42, Jose A Suárez Del Pino42, Peyman Moghadam43, Rama Oktavian43, Russel E Morris44, Paul S Wheatley44, Jorge Navarro45, Camille Petit46, David Danaci46, Matthew J Rosseinsky47, Alexandros P Katsoulidis47, Martin Schröder48, Xue Han48, Sihai Yang48, Christian Serre49, Georges Mouchaham49, David S Sholl35, Raghuram Thyagarajan35, Daniel Siderius50, Randall Q Snurr51, Rebecca B Goncalves52, Shane Telfer53, Seok J Lee53, Valeska P Ting54, Jemma L Rowlandson54, Takashi Uemura55, Tomoya Iiyuka55, Monique A van der Veen56, Davide Rega56, Veronique Van Speybroeck57, Sven M J Rogge57, Aran Lamaire57, Krista S Walton35, Lukas W Bingel35, Stefan Wuttke58,59, Jacopo Andreo58,59, Omar Yaghi60,61, Bing Zhang60, Cafer T Yavuz62, Thien S Nguyen62, Felix Zamora63, Carmen Montoro63, Hongcai Zhou64, Angelo Kirchon64, David Fairen-Jimenez1.   

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.
© 2022 The Authors. Advanced Materials published by Wiley-VCH GmbH.

Entities:  

Keywords:  BET theory; adsorption; porosimetry; porous materials; surface area

Mesh:

Year:  2022        PMID: 35603497     DOI: 10.1002/adma.202201502

Source DB:  PubMed          Journal:  Adv Mater        ISSN: 0935-9648            Impact factor:   30.849


  4 in total

1.  Facile Morphology and Porosity Regulation of Zeolite ZSM-5 Mesocrystals with Synergistically Enhanced Catalytic Activity and Shape Selectivity.

Authors:  Feng Lin; Zhaoqi Ye; Lingtao Kong; Peng Liu; Yahong Zhang; Hongbin Zhang; Yi Tang
Journal:  Nanomaterials (Basel)       Date:  2022-05-09       Impact factor: 5.719

Review 2.  From computational high-throughput screenings to the lab: taking metal-organic frameworks out of the computer.

Authors:  Aurelia Li; Rocio Bueno-Perez; David Madden; David Fairen-Jimenez
Journal:  Chem Sci       Date:  2022-06-16       Impact factor: 9.969

3.  Turning Molecular Springs into Nano-Shock Absorbers: The Effect of Macroscopic Morphology and Crystal Size on the Dynamic Hysteresis of Water Intrusion-Extrusion into-from Hydrophobic Nanopores.

Authors:  Paweł Zajdel; David G Madden; Robin Babu; Marco Tortora; Diego Mirani; Nikolay Nikolaevich Tsyrin; Luis Bartolomé; Eder Amayuelas; David Fairen-Jimenez; Alexander Rowland Lowe; Mirosław Chorążewski; Juscelino B Leao; Craig M Brown; Markus Bleuel; Victor Stoudenets; Carlo Massimo Casciola; María Echeverría; Francisco Bonilla; Giulia Grancini; Simone Meloni; Yaroslav Grosu
Journal:  ACS Appl Mater Interfaces       Date:  2022-06-03       Impact factor: 10.383

4.  Densified HKUST-1 Monoliths as a Route to High Volumetric and Gravimetric Hydrogen Storage Capacity.

Authors:  David Gerard Madden; Daniel O'Nolan; Nakul Rampal; Robin Babu; Ceren Çamur; Ali N Al Shakhs; Shi-Yuan Zhang; Graham A Rance; Javier Perez; Nicola Pietro Maria Casati; Carlos Cuadrado-Collados; Denis O'Sullivan; Nicholas P Rice; Thomas Gennett; Philip Parilla; Sarah Shulda; Katherine E Hurst; Vitalie Stavila; Mark D Allendorf; Joaquin Silvestre-Albero; Alexander C Forse; Neil R Champness; Karena W Chapman; David Fairen-Jimenez
Journal:  J Am Chem Soc       Date:  2022-07-25       Impact factor: 16.383

  4 in total

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