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Developing toluene reduced kinetic model in combination with DRGEP and sensitivity analysis method
FENG Hongqing1, ZHANG Jing1, ZHANG Chunhong1, LIU Daojian2, AN Ming1
(1.College of Pipeline and Civil Engineering in China University of Petroleum (East China), Qingdao 266580, China;2.State Key Laboratory of Engine, Tianjin University, Tianjin 300072, China)
Abstract:
Based on the detailed reaction mechanism on toluene proposed by Metcalfe, the initial reaction framework consisting of 92 species and 607 reactions was obtained by using the DRGEP. After that, the mechanism was further reduced by adopting the reaction ratio analysis and temperature sensitivity analysis under the condition that the temperature, pressure and equivalent ratio are in a broad range. As a result, the reduced reaction mechanism on toluene consisting of 48 species and 176 reactions was got. Extensive validations of present mechanism were performed compared with the experimental data of ignition delay time in shock tube, profiles of species concentration in jet-stirred reactors, and HCCI engine. The results show that the predicted results of the reduced reaction mechanism on toluene are in excellent agreement with the experimental result. The toluene oxidation and H abstraction reaction by OH radical could improve the process of combustion, and increase the system temperature at lean combustion conditions, but it will restrain the system reaction under rich conditions. In addition, the reactions related with O-OC6H4O2 play important roles in ignition, and the effect of O-OC6H4CH2 generated process by C6H4CH3 and O2 on ignition delaying becomes stronger with the increase of temperature.
Key words:  toluene  DRGEP  ignition delay time  reduced mechanism