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129th General Meeting of Korean Chemical Society & Exposition Physicochemical Understanding for the Impact of Pore Environment on Adsorption Behaviour: Finding and Understanding Reverse Sequential Pore Condensation of CO2 in MOF-205

Submission Date :
2 / 28 / 2022 , 13 : 54 : 50
Abstract Number :
129022826958
Presenting Type:
Poster Presentation
Presenting Area :
Material Chemistry
Authors :
Hae Sung Cho
Department of Chemistry, Chung-Ang University, Korea
Assigned Code :
MAT.P-675 Assigend Code Guideline
Presenting Time :
April 14 (THU) 11:00~13:00
For better designing adsorbents, it is important to know the intermolecular interaction between adsorbate and host material, leading to guest selectivity and uptake capacity. In this study, we demonstrate the influence of the adsorbate-substrate interaction controlled by pore environment on the adsorption behaviour. Especially, we report the unique CO2 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 CO2 in MOF-205 occurs preferentially in large dodecahedral pore rather than small tetrahedral pore due to relatively weaker intermolecular interactions of CO2 with MOF-205 framework than those among CO2 molecules, while Ar and N2 are sequentially filled into two different pores of MOF-205 following their size as other MOFs. Comparison of adsorption of various porous materials with different pore geometry and chemistry reveals that the relative strength of adsorbate-adsorbate and adsorbate-substrate interaction controlled by pore environment gives rise to different shapes of adsorption isotherm, which can lead to a detailed physicochemical understanding of the influence of pore environments on the adsorption behaviour.