高等学校化学学报 ›› 2011, Vol. 32 ›› Issue (8): 1832.

• 研究论文 • 上一篇    下一篇

甲基环己烷的高温燃烧机理及动力学模拟

谈宁馨1,王静波1, 华晓筱1, 李泽荣2,李象远1   

  1. 1. 四川大学化工学院,
    2. 化学学院, 成都 610065
  • 收稿日期:2010-11-03 修回日期:2011-05-20 出版日期:2011-08-10 发布日期:2011-07-19
  • 通讯作者: 李象远 E-mail:xyli@scu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 91016002)资助.

Combustion Mechanism and Kinetic Modeling Study of Methyl Cyclohexane at High Temperature

TAN Ning-Xin1, WANG Jing-Bo1, HUA Xiao-Xiao1, LI Ze-Rong2, LI Xiang-Yuan1*   

  1. 1. College of Chemical Engineering,
    2. College of Chemistry, Sichuan University, Chengdu 610065, China
  • Received:2010-11-03 Revised:2011-05-20 Online:2011-08-10 Published:2011-07-19
  • Contact: LI Xiang-Yuan E-mail:xyli@scu.edu.cn
  • Supported by:

    国家自然科学基金(批准号: 91016002)资助.

摘要: 本文根据高碳链烷烃和环烷烃高温燃烧的反应类型,开发了高温燃烧反应机理的自动生成程序ReaxGen,并据此建立了甲基环己烷的高温燃烧详细机理。采用激波管反应器模型开展了动力学模拟,研究了燃烧点火温度、点火压力、燃料摩尔分数和当量比对点火延时的影响。通过绝热燃烧平衡计算,得到产物浓度和绝热火焰温度。动力学模拟结果与文献实验结果及国际上同类机理的模拟结果进行了比较和讨论。

关键词: 燃烧机理, 甲基环己烷, 激波管反应模型

Abstract: At first, relevant discussions on combustion reaction rules at high temperature of alkanes and naphthenes were presented in this study. According to these rules, a program named ReaxGen was developed for automatic generation of the detailed mechanisms for large hydrocarbons. Secondly, the detailed combustion mechanism of methyl cyclohexane at high temperature was constructed using this program. Then, the influence of ignition temperature, ignition pressure, mole fraction of fuel and equivalence ratios upon the ignition delay time for methyl cyclohexane combustion at high temperature were investigated by a kinetics simulation method using shock tube. In addition, equilibrium calculations were also performed in order to obtain the concentration of product and adiabatic flame temperature. Finally, these calculated results from our mechanism were compared with the literature experimental results and those from other mechanisms available.

Key words: Combustion mechanism, Methyl cyclohexane, Reactor model of shock tube

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