文献类型：期刊文献

英文题名：Partial hydrogenation of benzene over the metallic Zn modified Ru-based catalyst

作者：Yuan, Pei-Qing[1];Wang, Bing-Qiang[2];Ma, Yue-Ming[1];He, Hui-Min[1];Cheng, Zhen-Min[1];Yuan, Wei-Kang[1]

机构：[1]E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]Shanghai Supercomp Ctr, Shanghai 201203, Peoples R China

年份：2009

卷号：309

期号：1-2

起止页码：124

外文期刊名：JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

收录：;EI(收录号：20093112230399);WOS:【SCI-EXPANDED(收录号:WOS:000268905100017)】；

语种：英文

外文关键词：Partial hydrogenation; Benzene; Alloy catalyst; DFT; Metallic Zn

摘要：From the adsorption point of view, partial hydrogenation of benzene to cyclohexene over the metallic Zn modified Ru-based catalyst was experimentally and theoretically investigated. A decreased hydrogenation activity but increased selectivity to cyclohexene over the prepared Ru-Zn/ZrO(2) catalyst was observed in the partial hydrogenation of benzene. Theoretical calculations suggest that the above phenomena are mainly resulted from the depression of the chemisorption of benzene and cyclohexene on the modified catalyst, especially for the latter. Undesired deep hydrogenation from cyclohexene to cyclohexane in the middle and late reaction stage therefore is effectively retarded, by which an improved cyclohexene yield is guaranteed. An optimal Zn content of 2.72 wt.% in the Ru-based catalyst was proposed by both the experiment and calculation for the partial hydrogenation of benzene, and a cyclohexene yield up to 44% was obtained over Ru-Zn/ZrO(2) catalyst. (C) 2009 Elsevier B.V. All rights reserved.