Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (07): 1385-1395.doi: 10.3866/PKU.WHXB201304123

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

Small-Scale Chemical Kinetic Mechanism Models for Pyrolysis of n-Decane

YAO Tong, ZHONG Bei-Jing   

  1. School of Aerospace, Tsinghua University, Beijing 100084, P. R. China
  • Received:2013-02-26 Revised:2013-04-12 Published:2013-06-14
  • 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:

n-Decane is a component of commonly used fuels, but so far studies into its pyrolysis mechanism are rare and the few existing mechanisms are inconvenient to use owing to their large scales. A small-scale chemical kinetic model (Mech33) for describing the process of n-decane pyrolysis containing 33 species and 75 elementary reactions was constructed. Based on partial equilibrium and quasi-steady state assumptions through sensitivity analysis, a smaller kinetic model (Mech22) containing 22 species and 59 reactions was developed from Mech33. Simulations of n-decane pyrolysis using these two models were compared with experimental data from flow reactor and shock tube over a wide range of temperatures and pressures. The results showed that Mech33 and Mech22 could reproduce the process of n-decane pyrolysis well and accurately predict the concentrations profile of main products, and finally provide valuable chemical kinetic models for engineering simulations when coupled with computational fluid dynamics (CFD).

Key words: n-Decane, Pyrolysis, Chemical kinetic mechanism model, Sensitivity analysis, Reduced model

MSC2000: 

  • O643