A modeling study of the effect of surface reactions on methanol-air oxidation at low temperatures

doi:10.1016/j.combustflame.2015.11.033

GIEC OpenIR > 中国科学院广州能源研究所

	A modeling study of the effect of surface reactions on methanol-air oxidation at low temperatures
	Huo, Jiepeng; Yang, Haolin; Jiang, Liqiao; Wang, Xiaohan; Zhao, Daiqing
	2016-02-01
发表期刊	COMBUSTION AND FLAME
卷号	164 页码:363-372
摘要	A detailed modeling study was performed to investigate the inhibitory effect of the interior surface of a reactor in the process of low-temperature oxidation of methanol air mixture. By using the reduction technique, which is for the gas-phase kinetic mechanism, a modified nine-step skeletal mechanism for the low temperature methanol oxidation was developed. Important quenching species as well as surface reactions which have great influences on gas-phase branching reactions were identified. The adsorption of the species such as hydroxyl, hydroperoxyl, hydrogen peroxide and formaldehyde and the desorption of stable molecules generated by the recombination of the above adsorbents have constituted the surface kinetic model for methanol air mixture. Computations based on the established heterogeneous radical quenching mechanism show excellent agreement with the experimental results from literatures, demonstrating that the radical quenching not only has significant inhibitory impact on slow oxidation, but also enables the retardation of ignition delay time. For the purpose of evaluating the inhibitory influence of the surface reactions on auto ignition, a more in-depth five-step reduced mechanism combining the gas-phase reactions and the surface reactions was developed. Based on this mechanism, an explicit expression for the auto-ignition prediction was derived with the activation-energy asymptotic treatment. The formula can predict the ignition delay time with sufficient accuracy for both inert and high-reactive surfaces. (C) 2015 Published by Elsevier Inc. on behalf of The Combustion Institute.
文章类型	Article
关键词	Surface Reaction Methanol Auto-ignition Low Temperature Reduced Chemistry
WOS标题词	Science & Technology ; Physical Sciences ; Technology
DOI	10.1016/j.combustflame.2015.11.033
研究领域[WOS]	Thermodynamics ; Energy & Fuels ; Engineering
关键词[WOS]	ENGINE-COMPRESSOR CONCEPT ; HIGH-PRESSURE ; FLOW REACTOR ; OH-PLIF ; COMBUSTION ; IGNITION ; KINETICS ; MIXTURES ; FLAME ; MECHANISM
收录类别	SCI
语种	英语
WOS类目	Thermodynamics ; Energy & Fuels ; Engineering, Multidisciplinary ; Engineering, Chemical ; Engineering, Mechanical
WOS记录号	WOS:000370461200029
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/11122
专题	中国科学院广州能源研究所
作者单位	Chinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Renewable Energy, Guangzhou 510640, Peoples R China
推荐引用方式 GB/T 7714	Huo, Jiepeng,Yang, Haolin,Jiang, Liqiao,et al. A modeling study of the effect of surface reactions on methanol-air oxidation at low temperatures[J]. COMBUSTION AND FLAME,2016,164:363-372.
APA	Huo, Jiepeng,Yang, Haolin,Jiang, Liqiao,Wang, Xiaohan,&Zhao, Daiqing.(2016).A modeling study of the effect of surface reactions on methanol-air oxidation at low temperatures.COMBUSTION AND FLAME,164,363-372.
MLA	Huo, Jiepeng,et al."A modeling study of the effect of surface reactions on methanol-air oxidation at low temperatures".COMBUSTION AND FLAME 164(2016):363-372.