Computation-guided descriptor for efficient zeolite catalysts screening in C4 alkylation process

Shuo Li,Jianlin Cao,Xiang Feng,Yupeng Du,Chaohe Yang, Wenyou Xu

Chemical Engineering Science（2021）

引用 6|浏览3

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摘要

•Descriptor (i-butane/1-butene ratio in micropore) for catalyst deactivation was proposed.•Pore structural topology affects the i-butane and 1-butene ratio powerfully.•The locations of i-butane and 1-butene in FAU, BEA, MOR and MFI were studied.•3D channels with ordered 12-membered rings have higher i-butane/1-butene ratio.

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关键词

C4 alkylation,Zeolite pore,I-butane/1-butene ratio,Adsorption,Deactivation

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