Insights into the confinement effect on isobutane alkylation with C_(4) olefin catalyzed by zeolite catalyst:A combined theoretical and experimental study
作者机构：College of Chemistry&Chemical EngineeringYantai UniversityYantai 264005China State Key Laboratory of Heavy Oil ProcessingSchool of Chemical EngineeringChina University of PetroleumQingdao 266580China Department of Chemical EngineeringNorwegian University of Science and TechnologyTrondheim 7491Norway
出 版 物：《Chinese Journal of Chemical Engineering》 (中国化学工程学报（英文版）)
年 卷 期：2022年第35卷第7期
页 面：174-184页
核心收录：
学科分类：08[工学] 0817[工学-化学工程与技术] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学]
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).
主 题：C_(4)alkylation Surface Zeolite Catalysis DFT calculation
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.
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