Direct imaging and mechanism study of C_(6)α-olefin adsorption on faujasite and Linde Type A zeolites  

作　　者：Ruihan Yang Xiao Chen Junxiang Ma Yuan Gao Yujun Wang Guangsheng Luo 

机构地区：[1]State Key Lab of Chemical Engineering,Department of Chemical Engineering,Tsinghua University,Beijing 100084,China [2]Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology,Department of Chemical Engineering,Tsinghua University,Beijing 100084,China [3]Lu’an Chemical Group CO.,LTD.,Changzhi046299,China

出　　处：《Nano Research》2022年第6期5322-5330,共9页纳米研究（英文版）

基　　金：supported by the National Natural Science Foundation of China(Nos.21991102 and 21878169);Key Technologies Research and Development Program of China(No.2019YFA0905100);Tsinghua University Initiative Scientific Research Program(No.2018Z05JZY010).

摘　　要：Linearα-olefins are important chemical raw materials.To purifyα-olefins from a high-temperature Fischer–Tropsch synthetic oil,it is necessary to separate theα-olefins from the paraffins,which is challenging.Adsorption separation by zeolites is a promising alternative to energy-intensive distillation forα-olefin/paraffin separation.An integrated differential phase-contrast scanning transmission electron microscopy(iDPC-STEM)technique is used in combination with density functional theory(DFT)simulations and batch adsorption experiments to study the adsorption behavior of C_(6)α-olefins and the mechanism of selective adsorption of C_(6)α-olefin/paraffin.Direct electron microscopy real-space imaging of the atomic frameworks of the faujasite(FAU)and Linde Type A(LTA)zeolites and the C_(6)α-olefin-adsorption positions on their lattices is achieved through iDPC-STEM.The images provide direct evidence that C_(6)α-olefins preferentially adsorb at the edges of the FAU and LTA zeolite cavities.DFT calculations further reveal the relationship between host–guest interactions and different molecular orientations.Calculated and experimental results also show that the presence of calcium cations can enhance the selectivity of zeolites forα-olefin/paraffin adsorption.This work provides a means to investigate the behavior of guest molecules and the host–guest interactions in the adsorption or catalytic process of nanoporous materials.

关 键 词：electron microscopy host-guest interactions adsorption separation α-olefins zeolites 

分 类 号：O64[理学—物理化学] TB3[理学—化学]