Acta Phys. -Chim. Sin. ›› 2015, Vol. 31 ›› Issue (4): 643-652.doi: 10.3866/PKU.WHXB201503022

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

Construction of Autoignition Mechanisms for the Combustion of RP-3 Surrogate Fuel and Kinetics Simulation

XU Jia-Qi1, GUO Jun-Jiang2, LIU Ai-Ke2, WANG Jian-Li1, TAN Ning-Xin2, LI Xiang-Yuan2   

  1. 1 College of Chemistry, Sichuan University, Chengdu 610064, P. R. China;
    2 College of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China
  • Received:2014-11-02 Revised:2015-02-08 Published:2015-04-03
  • Contact: TAN Ning-Xin E-mail:tanningxin@scu.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (91441132).

Abstract:

According to a component analysis of RP- 3 aviation kerosene and eight surrogate models' comparative data, a surrogate model comprising n-dodecane/1,3,5-trimethylcyclohecane/n-propylbenzene (73.0%/14.7%/12.3%, mass fraction) was obtained. A detailed mechanism for the combustion of RP-3 surrogate fuel at high temperature was developed using an automatic generation software package, ReaxGen. Ignition delay times simulated using this mechanism were compared with experimental data. A detailed mechanism was reduced by adopting rate-of-production analysis and approximate trajectory optimization algorithm (ATOA) reduced methods. Finally, the sensitivity of ignition delay time was analyzed under conditions of different equivalent ratios and pressures using the reduced mechanism. Differences in key reactions contributing to the ignition delay time were identified at different equivalent ratios. The results indicate that our mechanisms can characterize the ignition delay time during combustion of RP-3 kerosene at high temperature.

Key words: RP-3 aviation kerosene, Surrogate fuel, Combustion mechanism, Ignition delay time, Sensitivity analysis

MSC2000: 

  • O643