Catalytic Cracking of Cycloparaffins Admixed with Olefins:1. Single-Event Microkinetic(SEMK) Modeling

作     者：Xue Gaoping Weng Huixin Thybaut Joris W. Marin Guy B. 

作者机构：Research Institute of Petroleum Processing East China University of Science and Technology Laboratory for Chemical Technology Ghent University 

出 版 物：《China Petroleum Processing & Petrochemical Technology》 (中国炼油与石油化工（英文版）)

年 卷 期：2014年第16卷第1期

页      面：71-80页

核心收录：

学科分类：081705[工学-工业催化] 08[工学] 0817[工学-化学工程与技术] 

基　　金：financial support from the China Scholarship Council the Long Term Structural Methusalem Funding by the Flemish Government 

主　　题：catalytic cracking single-event microkinetic model cycloparaffin olefin catalysis 

摘      要：Single-event microkinetic(SEMK) model of the catalytic cracking of methylcyclohexane admixed with 1-octene over REUSY zeolites at 693 K—753 K in the absence of coke formation is enhanced. To keep consistency with the wellknown carbenium ion chemistry, hydride transfer forming and consuming allylic carbenium ions in the aromatization of cycloparaffins are further investigated and differentiated. The reversibility of endocyclic β-scission and cyclization reactions is refined by accounting explicitly for the reacting olefins and resulting cycloparaffins in the corresponding thermodynamics. 24 activation energies for the reactions involved in the cracking of cycloparaffins are obtained by the regression of 15 sets of experimental data upon taking the resulting 37 main cracking products, i. e., responses into account. The enhanced SEMK model can adequately describe the catalytic behavior of 37 main products with conversion and temperature.