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DRGEP与敏感性分析方法构建甲苯简化动力学模型
冯洪庆1,张静1,张春红1,刘道建2,安铭1
(1.中国石油大学(华东)储运与建筑工程学院,山东青岛 266580;2.天津大学内燃机燃烧学国家重点实验室,天津 300072)
摘要:
基于Metcalfe提出的甲苯详细反应机制,采用基于误差传递的直接关系图(DRGEP)方法得到由92组分、607反应组成的初步反应框架,然后采用反应速率分析和温度敏感性分析在宽范围的温度、压力和当量比条件下将机制进步简化,得到48组分、176反应的甲苯简化动力学机制。将甲苯简化机制与激波管的滞燃期、射流搅拌器中的组分浓度及HCCI发动机试验数据进行对比。结果表明:简化后的甲苯机制预测结果与试验结果非常吻合。甲苯被OH基氧化脱氢的反应在浓混合气条件下抑制系统反应的进行,但在稀燃时会促进系统氧化反应,增加系统温度。另外,与O-OC6H4O2相关的反应对着火有重要影响,C6H4CH3与O2形成O-OC6H4CH2的过程随温度升高延迟着火作用增强。
关键词:  甲苯  DRGEP  滞燃期  简化机制
DOI:10.3969/j.issn.1673-5005.2018.04.013
分类号:TK401
文献标识码:A
基金项目:山东省自然科学基金项目(ZR2016EEM05,ZR2016YL010);天津大学内燃机燃烧学国家重点实验室开放课题(K2017-05)
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
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