文献类型：期刊文献

中文题名：Catalytic Cracking of Cycloparaffins Admixed with Olefins:2. Single-Event Microkinetic(SEMK) Assessment

英文题名：Catalytic Cracking of Cycloparaffins Admixed with Olefins: 2. Single-Event Microkinetic (SEMK) Assessment

作者：Xue Gaoping[1,2];Weng Huixin[1];Thybaut, Joris W.[2];Marin, Guy B.[2]

机构：[1]E China Univ Sci & Technol, Res Inst Petr Proc, Shanghai 200237, Peoples R China;[2]Univ Ghent, Chem Technol Lab, B-9000 Ghent, Belgium

年份：2014

卷号：16

期号：2

起止页码：84

中文期刊名：China Petroleum Processing & Petrochemical Technology

外文期刊名：CHINA PETROLEUM PROCESSING & PETROCHEMICAL TECHNOLOGY

收录：;Scopus;WOS:【SCI-EXPANDED(收录号:WOS:000340042700014)】；

基金：The authors acknowledge the financial support from the China Scholarship Council and the Long Term Structural Methusalem Funding by the Flemish Government.

语种：英文

中文关键词：catalytic cracking; single-event microkinetic model; cycloparaffin; olefin; site coverage by carbenium ions

外文关键词：catalytic cracking; single-event microkinetic model; cycloparaffin; olefin; site coverage by carbenium ions

摘要：The developed SEMK model is used to provide an insight into the contribution of individual reactions in the cracking of methylcyclohexane as well as the site coverage by various carbenium ions. The preferred reaction pathways for the conversion of methylcyclohexane are hydride transfer reactions followed by PCP-isomerizations, deprotonation and endocyclic β-scission, accounting for 61%, 22% and 12% of its disappearance, respectively, at 693 K and 30% conversion of methylcyclohexane. Protolysis plays a minor role in the cracking of methylcyclohexane. Once cyclic diolefins are formed, all of them can be instantaneously transformed to aromatics, which are easily interconverted via disproportionation. Judging from the carbenium ion concentrations it is evident that, at the investigated operating conditions, less than 5% of the acid sites are covered by carbenium ions, less than 2% of which corresponds to cyclic type species including allylic ones.
The developed SEMK model is used to provide an insight into the contribution of individual reactions in the cracking of methylcyclohexane as well as the site coverage by various carbenium ions. The preferred reaction pathways for the conversion of methylcyclohexane are hydride transfer reactions followed by PCP-isomerizations, deprotonation and endocyclic beta-scission, accounting for 61%, 22% and 12% of its disappearance, respectively, at 693 K and 30% conversion of methylcyclohexane. Protolysis plays a minor role in the cracking of methylcyclohexane. Once cyclic diolefins are formed, all of them can be instantaneously transformed to aromatics, which are easily interconverted via disproportionation. Judging from the carbenium ion concentrations it is evident that, at the investigated operating conditions, less than 5% of the acid sites are covered by carbenium ions, less than 2% of which corresponds to cyclic type species including allylic ones.