中国炼油与石油化工 ›› 2014, Vol. 16 ›› Issue (01): 71-80.

• Simulation and Optimization • 上一篇    下一篇

环烷烃混合烯烃催化裂化: 1. 单事件动力学模型 (SEMK)建立

薛高平1,翁惠新1,Joris W. Thybaut2,Guy B. Marin2   

  1. 1. 华东理工大学石油加工研究所
    2. 比利时根特大学
  • 收稿日期:2013-10-22 修回日期:2013-12-30 出版日期:2014-03-30 发布日期:2014-03-30
  • 通讯作者: 翁惠新 E-mail:hxweng@ecust.edu.cn

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

  • Received:2013-10-22 Revised:2013-12-30 Online:2014-03-30 Published:2014-03-30

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 well-known carbenium ion chemistry, hydride transfer formation and consumption of 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.

Abstract: 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 well-known carbenium ion chemistry, hydride transfer formation and consumption of 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.