Acta Phys. -Chim. Sin. ›› 2014, Vol. 30 ›› Issue (2): 210-216.doi: 10.3866/PKU.WHXB201312103

• THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY • Previous Articles     Next Articles

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).

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