https://scholars.lib.ntu.edu.tw/handle/123456789/611469
標題: | Surface Area Determination of Porous Materials Using the Brunauer-Emmett-Teller (BET) Method: Limitations and Improvements | 作者: | Sinha P. Datar A. Jeong C. Deng X. Chung Y.G. Lin L.-C. LI-CHIANG LIN |
關鍵字: | Adsorption isotherms;Crystalline materials;Monolayers;Organometallics;Pore size;Porous materials;Accurate estimation;Brunauer-Emmett-Teller method;Complex isotherms;Geometric method;Geometric surface area;Metalorganic frameworks (MOFs);Molecular simulations;Surface area determination;Geometry | 公開日期: | 2019 | 卷: | 123 | 期: | 33 | 起(迄)頁: | 20195-20209 | 來源出版物: | Journal of Physical Chemistry C | 摘要: | Surface areas of metal-organic frameworks (MOFs) have been commonly characterized using the Brunauer-Emmett-Teller (BET) method based on adsorption isotherms of nonreactive nitrogen or argon. Recently, some discrepancies between surface areas computed from the BET method and those from geometric methods were reported in the literature. In this study, we systematically evaluated the BET and geometric surface areas of over 200 geometrically diverse real MOFs as well as CNTs with varying pore sizes as model systems to achieve a comprehensive understanding of the limitations of the BET and geometric methods. We compared the BET and geometric surface areas to the true monolayer area, which is determined by directly counting the number of molecules included in the monolayer of the surface from molecular simulation snapshots. Furthermore, we found that the excess sorption work (ESW) method or a combination of ESW and BET methods can potentially help facilitate a more accurate estimation of the surface area, particularly in cases where the structures show relatively less complex isotherms having distinct steps. ? 2019 American Chemical Society. |
URI: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85071418951&doi=10.1021%2facs.jpcc.9b02116&partnerID=40&md5=c04ba173978c2a984e52dfae2cd8f582 https://scholars.lib.ntu.edu.tw/handle/123456789/611469 |
DOI: | 10.1021/acs.jpcc.9b02116 |
顯示於: | 化學工程學系 |
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