物理化学学报 >> 2014, Vol. 30 >> Issue (2): 210-216.doi: 10.3866/PKU.WHXB201312103

热力学,动力学和结构化学 上一篇    下一篇

基于特征值分析的正癸烷骨架和总包简化机理

钟北京1, 姚通1, 文斐2   

  1. 1 清华大学航天航空学院, 北京100084;
    2 北京动力机械研究所, 北京100074
  • 收稿日期:2013-09-27 修回日期:2013-12-10 发布日期:2014-01-23
  • 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(51036004)资助项目

Skeletal and Reduced Mechanisms of n-Decane Simplified with Eigenvalue Analysis

ZHONG Bei-Jing1, YAO Tong1, WEN Fei2   

  1. 1 School of Aerospace, Tsinghua University, Beijing 100084, P. R. China;
    2 Beijing Power Machinery Institute, Beijing 100074, P. R. China
  • Received:2013-09-27 Revised:2013-12-10 Published:2014-01-23
  • Contact: ZHONG Bei-Jing E-mail:zhongbj@tsinghua.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (51036004).

摘要:

使用基于特征值分析的骨架简化方法对由118 个组分和527 个反应构成的正癸烷详细机理进行了简化,获得了一个由70 个组分、327 个基元反应组成的骨架机理; 采用基于特征值分析的计算奇异摄动(CSP)简化方法对骨架机理进行进一步简化,得到一个38 组分、34 步的总包简化机理. 通过对简化机理、骨架机理和详细机理的对比发现,简化机理和骨架机理能够很好地再现详细机理的特性,并能够描述正癸烷的主要燃烧特性,为进一步实现耦合化学反应动力学与流体力学的工程计算,提高计算效率提供了可用的燃烧模型.

关键词: 正癸烷, 特征值分析, 机理简化, 骨架机理, 总包机理

Abstract:

Based on the eigenvalue analysis reduction method, a detailed mechanism of n-decane with 118 species and 527 reactions was simplified. A skeletal mechanism with 70 species and 327 reactions was thus obtained. The computational singular perturbation (CSP) reduction method, which is based on eigenvalue analysis, was subsequently used to simplify the skeletal mechanism, and a reduced mechanism with 38 species and 34 reaction steps was developed. Comparison between the reduced mechanism, skeletal mechanism, and detailed mechanism showed that the reduced and skeletal mechanisms could reproduce the characteristics of the detailed mechanism and give the combustion characteristics of n-decane. The development of these models represents a significant step toward coupling of chemical reaction kinetics with computational fluid dynamics, and is a good basis for improving computational efficiency.

Key words: n-Decane, Eigenvalue analysis, Mechanism reduction, Skeletal mechanism, Reduced mechanism

MSC2000: 

  • O643