Mechanism Study of BF_(3)/n-Butanol-catalyzed 1-Decene Oligomerization Reaction  

作　　者：He Leilei Su Shuo Zhao Yi Xu Bing Long Jun 

机构地区：[1]Sinopec Research Institute of Petroleum Processing Co.,Ltd.,Beijing 100083

出　　处：《China Petroleum Processing & Petrochemical Technology》2023年第2期74-80,共7页中国炼油与石油化工（英文版）

基　　金：This work was financially supported by China Petrochemical Corporation Project(120055).

摘　　要：The active catalysts of the BF_(3)/n-C_(4)H_(9)OH-catalyzed 1-decene oligomerization reaction,as well as the distribution of the reaction products,was investigated by molecular simulation.The calculation results show that(BF_(3))_(2)·n-C_(4)H_(9)OH catalyzes the 1-decene oligomerization reaction with higher activity compared to BF_(3)·n-C_(4)H_(9)OH,which is the most catalytically active substance in the BF_(3)/n-C_(4)H_(9)OH catalyst system.The reaction energy barriers and heats of reaction of chain initiation,chain growth,and chain termination in BF_(3)/n-C_(4)H_(9)OH-catalyzed 1-decene oligomerization are calculated to reveal the product distribution.The calculation results show that the contents of the oligomerization reaction products in descending order are trimer,tetramer,pentamer,and dimer.The calculated results were consistent with the experimentally obtained product distribution.

关 键 词：poly-α-olefin synthetic base oil oligomerization reaction reaction mechanism boron trifluoride 

分 类 号：TQ316.3[化学工程—高聚物工业] TQ426