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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
Source PublicationCOMBUSTION AND FLAME
Volume164Pages:363-372
AbstractA 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.
SubtypeArticle
KeywordSurface Reaction Methanol Auto-ignition Low Temperature Reduced Chemistry
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1016/j.combustflame.2015.11.033
WOS Subject ExtendedThermodynamics ; Energy & Fuels ; Engineering
WOS KeywordENGINE-COMPRESSOR CONCEPT ; HIGH-PRESSURE ; FLOW REACTOR ; OH-PLIF ; COMBUSTION ; IGNITION ; KINETICS ; MIXTURES ; FLAME ; MECHANISM
Indexed BySCI
Language英语
WOS SubjectThermodynamics ; Energy & Fuels ; Engineering, Multidisciplinary ; Engineering, Chemical ; Engineering, Mechanical
WOS IDWOS:000370461200029
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/11122
Collection中国科学院广州能源研究所
AffiliationChinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Renewable Energy, Guangzhou 510640, Peoples R China
Recommended Citation
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.
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