Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (02): 237-244.doi: 10.3866/PKU.WHXB201211271

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

Chemical Kinetic Model for Auto-Ignition and Combustion of n-Decane

YAO Tong, ZHONG Bei-Jing   

  1. School of Aerospace, Tsinghua University, Beijing 100084, P. R. China
  • Received:2012-09-20 Revised:2012-11-27 Published:2013-01-14
  • Supported by:

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

Abstract:

A chemical kinetic model containing 46 species and 167 reactions was developed for the auto-ignition and combustion of n-decane. On the basis of a significant reduction of the mechanism proposed by Peters (118 species and 527 reactions)—where the reduction was achieved using reaction path analysis and a sensitivity analysis—the newly developed mechanism was obtained by correcting and improving some elementary reactions important for auto-ignition at lower temperatures and laminar flame speeds. When compared with experimental results, not only did the mechanism contain fewer species and reactions than other models, it could also predict the auto-ignition delay time at lower and higher temperatures and laminar flame speeds more precisely. The development of this model represents a significant step toward a global model that could be coupled with computational fluid dynamics.

Key words: n-Decane, Chemical kinetics, Reaction path analysis, Sensitivity analysis, Auto-ignition delay time, Laminar flame speed

MSC2000: 

  • O643