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.本项目旨在评估具备OFF拓扑结构（OFF topology）的沸石对二氧化碳（CO₂）的吸附容量与吸附选择性，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）之间相互作用的影响。本研究将对不同维度的各类OFF型沸石开展测试，以测定其在不同温度环境下、与氮气（N₂）、甲烷（CH₄）等竞争吸附分子共存时的二氧化碳吸附性能。本研究的核心目标是通过在原子级层面阐明主客体相互作用的重要性，厘清二氧化碳吸附行为与结构柔性之间的内在关联。