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タイトル
  • en Theoretical isotherm equation for adsorption-induced structural transition on flexible metal–organic frameworks
作成者
アクセス権 open access
権利情報
  • en Copyright © 2023 the Author(s). Published by PNAS.
  • https://creativecommons.org/licenses/by-nc-nd/4.0/
  • en This article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND).
  • en The full-text file will be made open to the public on 01 February 2024 in accordance with publisher's 'Terms and Conditions for Self-Archiving'.
主題
  • Other en adsorption isotherm equation
  • Other en adsorption-induced structural transition
  • Other en metal–organic frameworks
  • Other en statistical mechanics
内容注記
  • Abstract en Flexible metal–organic frameworks (MOFs) exhibit an adsorption-induced structural transition known as “gate opening” or “breathing, ” resulting in an S-shaped adsorption isotherm. This unique feature of flexible MOFs offers significant advantages, such as a large working capacity, high selectivity, and intrinsic thermal management capability, positioning them as crucial candidates for revolutionizing adsorption separation processes. Therefore, the interest in the industrial applications of flexible MOFs is increasing, and the adsorption engineering for flexible MOFs is becoming important. However, despite the establishment of the theoretical background for adsorption-induced structural transitions, no theoretical equation is available to describe S-shaped adsorption isotherms of flexible MOFs. Researchers rely on various empirical equations for process simulations that can lead to unreliable outcomes or may overlook insights into improving material performance owing to parameters without physical meaning. In this study, we derive a theoretical equation based on statistical mechanics that could be a standard for the structural transition type adsorption isotherms, as the Langmuir equation represents type I isotherms. The versatility of the derived equation is shown through four examples of flexible MOFs that exhibit gate opening and breathing. The consistency of the formula with existing theories, including the osmotic free energy analysis and intrinsic thermal management capabilities, is also discussed. The developed theoretical equation may lead to more reliable and insightful outcomes in adsorption separation processes, further advancing the direction of industrial applications of flexible MOFs.
出版者 en National Academy of Sciences
日付
    Available2024-02-01 , Issued2023-08-01
言語
  • eng
資源タイプ journal article
出版タイプ VoR
資源識別子 HDL http://hdl.handle.net/2433/286028
関連
  • isIdenticalTo DOI https://doi.org/10.1073/pnas.2305573120
  • isIdenticalTo PMID 37487093
助成情報
  • 助成機関名 ja 日本学術振興会
  • 研究課題番号 JP20K15074 https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20K15074/ JGN
  • 研究課題名 ja ペレット状ソフト多孔性錯体に見られるゲート吸着挙動の緩慢化現象の究明
  • 助成機関名 ja 日本学術振興会
  • 研究課題番号 JP21K18187 https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-21K18187/ JGN
  • 研究課題名 ja ゲート型吸着剤の特異な挙動に着目した吸着分離工学の革新
  • 助成機関名 ja 日本学術振興会
  • 研究課題番号 JP22H01848 https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22H01848/ JGN
  • 研究課題名 ja ソフト多孔性錯体が示すゲート吸着挙動の速度論の体系化
収録誌情報
    • PISSN 0027-8424
    • EISSN 1091-6490
      • en Proceedings of the National Academy of Sciences (PNAS)
      • 巻120 号31
ファイル
コンテンツ更新日時 2026-02-18