Adsorbate-adsorbate interactions on microporous materials

Seishi Shimizu, Nobuyuki Matubayasi

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Simple isotherm models can fit microporous adsorption yet the molecular interactions underlying the successful fitting have often remained obscure. Here we demonstrate how semi-empirical isotherm model data can be mined to reveal the reality of adsorbate-adsorbate molecular interactions. This was made possible by the fluctuation adsorption theory, a rigorous theory based only on the principles of statistical thermodynamics. For microporous carbons, adsorbate-adsorbate interactions quantified from the Dubinin-Radishkevich (DR) and Dubinin-Astakhov (DA) models successfully capture the primary micropore filling mechanism and the subsequent layer adsorption, leading to a liquid-like behaviour of the adsorbates. The microscopic meanings of the DR and DA parameters and the adsorption potential have also been clarified via statistical thermodynamics.
Original languageEnglish
Article number111254
Publication statusPublished - 18 Jun 2021

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