Unlocking Zeolite Flexibility: Implications for Improved CO2 Capture

This project will assess the adsorption capacity of CO2 and the selectivity of zeolites possessing OFF topology, focusing on the influence of framework flexibility and guest-molecules interactions with extra-framework cations (EFCs). Various OFF-type zeolites of differing dimensions will undergo testing to determine their CO2 adsorption capabilities when exposed to competing molecules such as N2 and CH4 across varying temperatures. The primary objective of this study is to elucidate the relationship between CO2 adsorption and structural flexibility by elucidating the significance of host-guest interactions at the atomistic level.

本研究将评估具有OFF拓扑结构（OFF topology）的沸石对CO₂的吸附容量及其吸附选择性，重点探究骨架柔性以及客体分子与骨架外阳离子（extra-framework cations, EFCs）之间的相互作用的影响。本研究将对多种不同孔道维度的OFF型沸石开展测试，考察其在不同温度条件下，暴露于N₂、CH₄等竞争吸附分子环境中的CO₂吸附性能。本研究的核心目标是通过厘清原子尺度下主-客体相互作用的重要性，阐明CO₂吸附与结构柔性之间的内在关联。