How reproducible are surface areas calculated from the BET equation?
- Author
- Johannes W. M. Osterrieth, James Rampersad, David Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Rob Ameloot, João Marreiros, Conchi Ania, Diana Azevedo, Enrique Vilarrasa‐Garcia, Bianca F. Santos, Xian‐He Bu, Ze Chang, Hana Bunzen, Neil R. Champness, Sarah L. Griffin, Banglin Chen, Rui‐Biao Lin, Benoit Coasne, Seth Cohen, Jessica C. Moreton, Yamil J. Colón, Linjiang Chen, Rob Clowes, François‐Xavier Coudert, Yong Cui, Bang Hou, Deanna M. D'Alessandro, Patrick W. Doheny, Mircea Dincă, Chenyue Sun, Christian Doonan, Michael Thomas Huxley, Jack D. Evans, Paolo Falcaro, Raffaele Ricco, Omar Farha, Karam B. Idrees, Timur Islamoglu, Pingyun Feng, Huajun Yang, Ross S. Forgan, Dominic Bara, Shuhei Furukawa, Eli Sanchez, Jorge Gascon, Selvedin Telalović, Sujit K. Ghosh, Soumya Mukherjee, Matthew R. Hill, Muhammed Munir Sadiq, Patricia Horcajada, Pablo Salcedo‐Abraira, Katsumi Kaneko, Radovan Kukobat, Jeff Kenvin, Seda Keskin, Susumu Kitagawa, Ken‐ichi Otake, Ryan P. Lively, Stephen J. A. DeWitt, Phillip Llewellyn, Bettina V. Lotsch, Sebastian T. Emmerling, Alexander M. Pütz, Carlos Martí‐Gastaldo, Natalia M. Padial, Javier García‐Martínez, Noemi Linares, Daniel Maspoch, Jose A. Suárez del Pino, Peyman Moghadam, Rama Oktavian, Russel E. Morris, Paul S. Wheatley, Jorge Navarro, Camille Petit, David Danaci, Matthew J. Rosseinsky, Alexandros P. Katsoulidis, Martin Schröder, Xue Han, Sihai Yang, Christian Serre, Georges Mouchaham, David S. Sholl, Raghuram Thyagarajan, Daniel Siderius, Randall Q. Snurr, Rebecca B. Goncalves, Shane Telfer, Seok J. Lee, Valeska P. Ting, Jemma L. Rowlandson, Takashi Uemura, Tomoya Iiyuka, Monique A. van der Veen, Davide Rega, Veronique Van Speybroeck (UGent) , Sven Rogge (UGent) , Aran Lamaire (UGent) , Krista S. Walton, Lukas W. Bingel, Stefan Wuttke, Jacopo Andreo, Omar Yaghi, Bing Zhang, Cafer T. Yavuz, Thien S. Nguyen, Felix Zamora, Carmen Montoro, Hongcai Zhou, Angelo Kirchon and David Fairen‐Jimenez
- Organization
- Project
- 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.
- Keywords
- Mechanical Engineering, Mechanics of Materials, General Materials Science, adsorption, BET theory, porosimetry, porous materials, surface area, METAL-ORGANIC FRAMEWORKS, POROUS MATERIALS, GAS-STORAGE, ADSORPTION, APPLICABILITY, CHEMISTRY
Downloads
-
Advanced Materials - 2022 - Osterrieth - How Reproducible are Surface Areas Calculated from the BET Equation.pdf
- full text (Published version)
- |
- open access
- |
- |
- 1.66 MB
Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-8768590
- MLA
- Osterrieth, Johannes W. M., et al. “How Reproducible Are Surface Areas Calculated from the BET Equation?” ADVANCED MATERIALS, vol. 34, no. 27, 2022, doi:10.1002/adma.202201502.
- APA
- Osterrieth, J. W. M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., … Fairen‐Jimenez, D. (2022). How reproducible are surface areas calculated from the BET equation? ADVANCED MATERIALS, 34(27). https://doi.org/10.1002/adma.202201502
- Chicago author-date
- Osterrieth, Johannes W. M., James Rampersad, David Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark D. Allendorf, et al. 2022. “How Reproducible Are Surface Areas Calculated from the BET Equation?” ADVANCED MATERIALS 34 (27). https://doi.org/10.1002/adma.202201502.
- Chicago author-date (all authors)
- Osterrieth, Johannes W. M., James Rampersad, David Madden, Nakul Rampal, Luka Skoric, Bethany Connolly, Mark D. Allendorf, Vitalie Stavila, Jonathan L. Snider, Rob Ameloot, João Marreiros, Conchi Ania, Diana Azevedo, Enrique Vilarrasa‐Garcia, Bianca F. Santos, Xian‐He Bu, Ze Chang, Hana Bunzen, Neil R. Champness, Sarah L. Griffin, Banglin Chen, Rui‐Biao Lin, Benoit Coasne, Seth Cohen, Jessica C. Moreton, Yamil J. Colón, Linjiang Chen, Rob Clowes, François‐Xavier Coudert, Yong Cui, Bang Hou, Deanna M. D’Alessandro, Patrick W. Doheny, Mircea Dincă, Chenyue Sun, Christian Doonan, Michael Thomas Huxley, Jack D. Evans, Paolo Falcaro, Raffaele Ricco, Omar Farha, Karam B. Idrees, Timur Islamoglu, Pingyun Feng, Huajun Yang, Ross S. Forgan, Dominic Bara, Shuhei Furukawa, Eli Sanchez, Jorge Gascon, Selvedin Telalović, Sujit K. Ghosh, Soumya Mukherjee, Matthew R. Hill, Muhammed Munir Sadiq, Patricia Horcajada, Pablo Salcedo‐Abraira, Katsumi Kaneko, Radovan Kukobat, Jeff Kenvin, Seda Keskin, Susumu Kitagawa, Ken‐ichi Otake, Ryan P. Lively, Stephen J. A. DeWitt, Phillip Llewellyn, Bettina V. Lotsch, Sebastian T. Emmerling, Alexander M. Pütz, Carlos Martí‐Gastaldo, Natalia M. Padial, Javier García‐Martínez, Noemi Linares, Daniel Maspoch, Jose A. Suárez del Pino, Peyman Moghadam, Rama Oktavian, Russel E. Morris, Paul S. Wheatley, Jorge Navarro, Camille Petit, David Danaci, Matthew J. Rosseinsky, Alexandros P. Katsoulidis, Martin Schröder, Xue Han, Sihai Yang, Christian Serre, Georges Mouchaham, David S. Sholl, Raghuram Thyagarajan, Daniel Siderius, Randall Q. Snurr, Rebecca B. Goncalves, Shane Telfer, Seok J. Lee, Valeska P. Ting, Jemma L. Rowlandson, Takashi Uemura, Tomoya Iiyuka, Monique A. van der Veen, Davide Rega, Veronique Van Speybroeck, Sven Rogge, Aran Lamaire, Krista S. Walton, Lukas W. Bingel, Stefan Wuttke, Jacopo Andreo, Omar Yaghi, Bing Zhang, Cafer T. Yavuz, Thien S. Nguyen, Felix Zamora, Carmen Montoro, Hongcai Zhou, Angelo Kirchon, and David Fairen‐Jimenez. 2022. “How Reproducible Are Surface Areas Calculated from the BET Equation?” ADVANCED MATERIALS 34 (27). doi:10.1002/adma.202201502.
- Vancouver
- 1.Osterrieth JWM, Rampersad J, Madden D, Rampal N, Skoric L, Connolly B, et al. How reproducible are surface areas calculated from the BET equation? ADVANCED MATERIALS. 2022;34(27).
- IEEE
- [1]J. W. M. Osterrieth et al., “How reproducible are surface areas calculated from the BET equation?,” ADVANCED MATERIALS, vol. 34, no. 27, 2022.
@article{8768590,
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.}},
articleno = {{2201502}},
author = {{Osterrieth, Johannes W. M. and Rampersad, James and Madden, David and Rampal, Nakul and Skoric, Luka and Connolly, Bethany and Allendorf, Mark D. and Stavila, Vitalie and Snider, Jonathan L. and Ameloot, Rob and Marreiros, João and Ania, Conchi and Azevedo, Diana and Vilarrasa‐Garcia, Enrique and Santos, Bianca F. and Bu, Xian‐He and Chang, Ze and Bunzen, Hana and Champness, Neil R. and Griffin, Sarah L. and Chen, Banglin and Lin, Rui‐Biao and Coasne, Benoit and Cohen, Seth and Moreton, Jessica C. and Colón, Yamil J. and Chen, Linjiang and Clowes, Rob and Coudert, François‐Xavier and Cui, Yong and Hou, Bang and D'Alessandro, Deanna M. and Doheny, Patrick W. and Dincă, Mircea and Sun, Chenyue and Doonan, Christian and Huxley, Michael Thomas and Evans, Jack D. and Falcaro, Paolo and Ricco, Raffaele and Farha, Omar and Idrees, Karam B. and Islamoglu, Timur and Feng, Pingyun and Yang, Huajun and Forgan, Ross S. and Bara, Dominic and Furukawa, Shuhei and Sanchez, Eli and Gascon, Jorge and Telalović, Selvedin and Ghosh, Sujit K. and Mukherjee, Soumya and Hill, Matthew R. and Sadiq, Muhammed Munir and Horcajada, Patricia and Salcedo‐Abraira, Pablo and Kaneko, Katsumi and Kukobat, Radovan and Kenvin, Jeff and Keskin, Seda and Kitagawa, Susumu and Otake, Ken‐ichi and Lively, Ryan P. and DeWitt, Stephen J. A. and Llewellyn, Phillip and Lotsch, Bettina V. and Emmerling, Sebastian T. and Pütz, Alexander M. and Martí‐Gastaldo, Carlos and Padial, Natalia M. and García‐Martínez, Javier and Linares, Noemi and Maspoch, Daniel and Suárez del Pino, Jose A. and Moghadam, Peyman and Oktavian, Rama and Morris, Russel E. and Wheatley, Paul S. and Navarro, Jorge and Petit, Camille and Danaci, David and Rosseinsky, Matthew J. and Katsoulidis, Alexandros P. and Schröder, Martin and Han, Xue and Yang, Sihai and Serre, Christian and Mouchaham, Georges and Sholl, David S. and Thyagarajan, Raghuram and Siderius, Daniel and Snurr, Randall Q. and Goncalves, Rebecca B. and Telfer, Shane and Lee, Seok J. and Ting, Valeska P. and Rowlandson, Jemma L. and Uemura, Takashi and Iiyuka, Tomoya and van der Veen, Monique A. and Rega, Davide and Van Speybroeck, Veronique and Rogge, Sven and Lamaire, Aran and Walton, Krista S. and Bingel, Lukas W. and Wuttke, Stefan and Andreo, Jacopo and Yaghi, Omar and Zhang, Bing and Yavuz, Cafer T. and Nguyen, Thien S. and Zamora, Felix and Montoro, Carmen and Zhou, Hongcai and Kirchon, Angelo and Fairen‐Jimenez, David}},
issn = {{0935-9648}},
journal = {{ADVANCED MATERIALS}},
keywords = {{Mechanical Engineering,Mechanics of Materials,General Materials Science,adsorption,BET theory,porosimetry,porous materials,surface area,METAL-ORGANIC FRAMEWORKS,POROUS MATERIALS,GAS-STORAGE,ADSORPTION,APPLICABILITY,CHEMISTRY}},
language = {{eng}},
number = {{27}},
pages = {{12}},
title = {{How reproducible are surface areas calculated from the BET equation?}},
url = {{http://doi.org/10.1002/adma.202201502}},
volume = {{34}},
year = {{2022}},
}
- Altmetric
- View in Altmetric
- Web of Science
- Times cited: