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Physicochemical Understanding of the Impact of Pore Environment and Species of Adsorbates on Adsorption Behaviour
Author(s) -
Cho Hae Sung,
Tanaka Hideki,
Lee Yongjin,
Zhang YueBiao,
Jiang Juncong,
Kim Minho,
Kim Hyungjun,
Kang Jeung Ku,
Terasaki Osamu
Publication year - 2021
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.202107897
Subject(s) - adsorption , dodecahedron , capillary condensation , chemical physics , substrate (aquarium) , chemistry , molecule , intermolecular force , chemical engineering , crystallography , organic chemistry , oceanography , engineering , geology
For a better design of adsorbents, it is important to know the intermolecular interaction among adsorbates and host material, leading to improved guest selectivity and uptake capacity. In this study, we demonstrate the influence of the interaction among adsorbates and substrate, controlled by the pore environment and species of adsorbates, on the adsorption behaviour. We report the unique CO 2 adsorption behaviour of MOF‐205 due to distinct pore geometry. The precise analysis through gas‐adsorption crystallography with molecular simulation shows that capillary condensation of CO 2 in MOF‐205 occurs preferentially in the large dodecahedral pore rather than the small tetrahedral pore, because the interaction of CO 2 with MOF‐205 framework is weaker than that among CO 2 molecules, while Ar and N 2 are sequentially filled into two different pores of MOF‐205 according to their size. Comparison of the materials with different pore environments reveals that the relative strength of the adsorbate–adsorbate and adsorbate–substrate interaction gives rise to different shapes of isotherms.