吸附
动力学
解吸
化学工程
选择性
动能
材料科学
多孔性
金属有机骨架
化学
极化(电化学)
多孔介质
过程(计算)
分子动力学
单晶
Crystal(编程语言)
动力控制
纳米技术
作者
Zhenyu Ji,Yunzhe Zhou,Maochun Hong,Mingyan Wu
出处
期刊:PubMed
日期:2026-05-02
卷期号:: e4151188-e4151188
摘要
Xe (>99.9%) can be directly obtained. The dynamic selectivity calculated from desorption process is as high as 16.5, which exceeds all the reported porous organic materials. Gas-loaded crystal data combined with molecular modeling clearly reveal that the size-matched pores within HOF-TBPDM induce a stronger polarization effect on Xe than Kr, leading to preferential binding of Xe molecules. Overall, this study demonstrates the effectiveness of 2D pore in HOFs for balancing thermodynamic adsorption and kinetic diffusion, providing a viable strategy for advanced Xe/Kr separation.
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