Chemical kinetics of cyclic ethers in combustion

被引:29
作者
Tran, Luc-Sy [1 ]
Herbinet, Olivier [2 ]
Carstensen, Hans-Heinrich [3 ,4 ]
Battin-Leclerc, Frederique [2 ]
机构
[1] Univ Lille, CNRS, UMR 8522, PC2A Phys chim Proc Combust & Atmosphere, F-59000 Lille, France
[2] Univ Lorraine, CNRS, UMR 7274, LRGP Lab React & Genie Procedes, F-54000 Nancy, France
[3] Fdn Agencia Aragonesa Invest & Desarrollo ARAID, Zaragoza, Spain
[4] Univ Zaragoza, Dept Chem & Environm Engn, Zaragoza, Spain
关键词
Cyclic ethers; Gas phase kinetics; Hydrocarbon oxidation; Lignocellulosic biofuels; Furan derivatives; LOW-TEMPERATURE OXIDATION; GAS-PHASE OXIDATION; JET-STIRRED REACTOR; IGNITION DELAY TIMES; HIGH-PRESSURE OXIDATION; PHOTOIONIZATION CROSS-SECTIONS; LAMINAR BURNING VELOCITIES; RAPID COMPRESSION MACHINE; BEAM MASS-SPECTROMETRY; COMPLETE BASIS-SET;
D O I
10.1016/j.pecs.2022.101019
中图分类号
O414.1 [热力学];
学科分类号
摘要
Cyclic Ethers (CEs) belong to a class of compounds of importance to understand the chemistry of both the engine auto-ignition of hydrocarbon fuels and the combustion of oxygenated biofuels. This article, divided in six parts, aims at systematically analyzing how up-to-date experimental and theoretical methods were applied to unveil the gas-phase oxidation chemistry of these compounds. The first part gives a brief overview on the significance of CEs as intermediates formed during alkane low-temperature oxidation summarizing its generally accepted chemical mechanism. This part also addresses the role of CEs as potential biofuels derived from lignocellulosic biomass and discusses the production methods of these molecules and their combustion performances in engine. The second part presents the different theoretical methods dedicated to calculate the electronic structure, thermochemical and kinetic data of CEs. The third part introduces the experimental methods used in studies related to CEs with a special focus on mass spectrometry and gas chromatography. The fourth part reviews the experimental and modeling studies related to CE formation during the low-temperature oxidation of linear, branched, cyclic alkanes, alkylbenzenes, olefins, and oxygenated fuels. The fifth part analyses the published work concerning the CE degradation chemistry and highlights the dominant involved reactions. To finish, the sixth part concludes and proposes future research directions.
引用
收藏
页数:112
相关论文
共 782 条
[11]  
[Anonymous], 1980, POLYM SCI USSR
[12]  
[Anonymous], 1976, GOV REP ANNOUNCE IND
[13]  
[Anonymous], BP ENERGY OUTLOOK 20
[14]  
[Anonymous], NIST Standard Reference Database Number 69
[15]  
[Anonymous], 2016, THESIS
[16]  
[Anonymous], 1999, Molecular Thermodynamics
[17]  
[Anonymous], 2021, NIST Chemistry WebBook
[18]  
[Anonymous], 1994, Thermochemical Data and Structures of Organic Compounds, vol
[19]  
Arimura M., 1984, Mass Spectroscopy, V32, P375
[20]   PHOTOELECTRON-SPECTRA OF METHYL-SUBSTITUTED 1,3-DIOXANES [J].
ASFANDIAROV, NL ;
ZYKOV, BG .
BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1983, 32 (10) :2069-2072