Insights into the confinement effect on isobutane alkylation with C_(4) olefin catalyzed by zeolite catalyst:A combined theoretical and experimental study  

作　　者：Shuo Li Jianlin Cao Xiang Feng Yupeng Du De Chen Chaohe Yang Wenhua Wang Wanzhong Ren 

机构地区：[1]College of Chemistry&Chemical Engineering,Yantai University,Yantai 264005,China [2]State Key Laboratory of Heavy Oil Processing,School of Chemical Engineering,China University of Petroleum,Qingdao 266580,China [3]Department of Chemical Engineering,Norwegian University of Science and Technology,Trondheim 7491,Norway

出　　处：《Chinese Journal of Chemical Engineering》2022年第7期174-184,共11页中国化学工程学报（英文版）

基　　金：supported by the National Natural Science Foundation of China(21978325,21776312,21908186);the Independent Innovation Foundation of Qingdao(17-1-1-18-jch);the Fundamental Research Funds for the Central Universities(18CX02014A);the Fundamental Research Funds for the Central Universities and the Opening Fund of State Key Laboratory of Heavy Oil Processing(SKLOP202003002).

摘　　要：Elucidating the confinement effect harbours tremendous significance for isobutane alkylation with C_(4) olefin.Herein,the confinement effect over zeolite catalysts was elucidated by combining DFT calculations,experiments(using the novel Beta zeolite exposing only external surfaces(Beta-E)and conventional Beta-I zeolite with both external and internal surfaces)and multi-techniques(e.g.,TGA-DTG,HRTEM,SEM and XRD).It is found that the main active sites for C_(4) alkylation reaction are located on internal surface rather than external surface.On the external surface,the hydride transfer reaction does not occur because the H-shared intermediate cannot be formed without the confinement effect.Moreover,the external surface has stronger selectivity for C_(4) olefin adsorption than isobutane,leading to enhanced oligomerization reactions.Therefore,the suitable micropore with confinement effect is essential for zeolite-catalyzed C_(4) alkylation.The atomic-scale insights of this work are of great referential importance to the design of highly effective zeolite catalyst.

关 键 词：C_(4)alkylation Surface ZEOLITE CATALYSIS DFT calculation 

分 类 号：TQ426[化学工程]