物理化学学报 >> 2011, Vol. 27 >> Issue (09): 2200-2208.doi: 10.3866/PKU.WHXB20110927

催化和表面科学 上一篇    下一篇

C1-C4在Pt 催化剂上的多相反应机理

熊鹏飞, 钟北京, 杨帆   

  1. 清华大学航天航空学院, 北京 100084
  • 收稿日期:2011-05-16 修回日期:2011-07-07 发布日期:2011-08-26
  • 通讯作者: 钟北京 E-mail:zhongbj@tsinghua.edu.cn
  • 基金资助:

    国家自然科学基金(50976056, 50721140648)资助项目

Heterogeneous Mechanism of C1-C4 on a Platinum Catalyst

XIONG Peng-Fei, ZHONG Bei-Jing, YANG Fan   

  1. Scool of Aerospace, Tsinghua University, Beijing 100084, P. R. China
  • Received:2011-05-16 Revised:2011-07-07 Published:2011-08-26
  • Contact: ZHONG Bei-Jing E-mail:zhongbj@tsinghua.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (50976056, 50721140648).

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摘要： 提出并构建了H2和C1-C4碳氢燃料在Pt 表面上的详细催化反应机理, 对所构建的机理分别用CH4、C2H6、C3H8以及C4H10等碳氢燃料进行了数值模拟; 并用文献中给定的部分碳氢燃料(如CH4、C2H6 加H2与不加H2, C3H8加H2与不加H2, 以及C4H10加H2)的催化着火与燃烧的实验结果与数值模拟结果进行了对比, 对比结果表明H2会对C3H8以及C4H10的催化起燃以及C2H6的催化燃烧起促进作用, 但所起作用的动力学过程并不是相同的. 此机理能够有效地反映上述燃料的主要催化着火以及催化燃烧特征, 并可以对着火与燃烧整个过程进行动力学分析, 用其来描述C1-C4碳氢燃料的催化着火与燃烧具有一定的合理性.

关键词: 催化燃烧, H2和C1-C4催化反应机理, 实验对比验证, H2辅助催化起燃, Pt催化剂

Abstract: We developed a H2 and C1-C4 heterogeneous mechanism to describe their catalytic reaction on a platinum catalyst. To verify the mechanism we carried out simulations with methane, ethane, propane, and n-butane and compared the results to the reported experimental data. The ignition and combustion (ignition or combustion of CH4, C2H6 with or without adding H2, C3H8 with or without adding H2, C4H10 with adding H2) was of interest. Good agreement was obtained and we found that H2 improved the ignition of propane and n-butane, and the combustion of ethane. However, their kinetic processes are different. Therefore, the H2 and C1-C4 heterogeneous mechanism determined in this work is reasonable with some certainty and could be used to describe the characteristics of ignition and combustion, which can be used to analyze the kinetic process.

Key words: Catalytic combustion, H2 and C1-C4 heterogeneous mechanism, Validation with experimental data, Hydrogen-assisted catalytic ignition, Pt catalyst