Acta Phys. -Chim. Sin. ›› 2015, Vol. 31 ›› Issue (7): 1265-1274.doi: 10.3866/PKU.WHXB201505131


Reduced Chemical Kinetic Model of a Gasoline Surrogate Fuel for HCCI Combustion

ZHENG Zhao-Lei, LIANG Zhen-Long   

  1. Key Laboratory of Low-Grade Energy Utilization Technologies and Systems, Ministry of Education, Chongqing University, Chongqing 400044, P. R. China
  • Received:2015-01-13 Revised:2015-05-13 Published:2015-07-08
  • Contact: ZHENG Zhao-Lei
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (51376202) and Fundamental Research Funds for the Central Universities, China (CDJZR13145501).


A new reduced chemical kinetic model that includes 103 species and 199 reactions is developed and used to describe the oxidation of a gasoline surrogate fuel consisting of n-heptane, iso-octane, toluene, and diisobutylene (DIB) for homogeneous charge compression ignition (HCCI). DIB is mainly consumed by Habstraction reactions by OH radicals to form three isomers, namely JC8H15- A, JC8H15- B, and JC8H15- D. Decomposition reaction is also one of the main reactions of DIB consumption, and this process forms two important C4 products, namely TC4H9 and IC4H7. These products are the primary sources for CH2O generation. The skeletal mechanism of toluene reference fuel (TRF) is based on the existing semi-detailed TRF mechanism developed by Andrae. The toluene and DIB sub-mechanism is developed using reaction path and sensitivity analyses. Good agreements are achieved with the experimental ignition delays observed in a shock tube and an HCCI engine. The present reduced model has reliable performance for HCCI combustion simulations.

Key words: Reaction mechanism, Gasoline surrogate, Ignition delay time, Reaction path, Homogeneous charge compression ignition