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
[1]   Potential of fat, oil and grease (FOG) for biodiesel production: A critical review on the recent progress and future perspectives [J].
Abomohra, Abd El-Fatah ;
Elsayed, Mahdy ;
Esakkimuthu, Sivakumar ;
El-Sheekh, Mostafa ;
Dieter, Hanelt .
PROGRESS IN ENERGY AND COMBUSTION SCIENCE, 2020, 81
[2]  
ACD/ChemSketch, 2020, STRUCT DRAW SOFTW AC
[3]   Biofuels (alcohols and biodiesel) applications as fuels for internal combustion engines [J].
Agarwal, Avinash Kumar .
PROGRESS IN ENERGY AND COMBUSTION SCIENCE, 2007, 33 (03) :233-271
[4]   A review on process conditions for optimum bio-oil yield in hydrothermal liquefaction of biomass [J].
Akhtar, Javaid ;
Amin, Nor Aishah Saidina .
RENEWABLE & SUSTAINABLE ENERGY REVIEWS, 2011, 15 (03) :1615-1624
[5]   MOLECULAR COMPLEXES OF HETEROAROMATIC 5 MEMBERED RING COMPOUNDS WITH TETRACYANOETHYLENE - CHARGE-TRANSFER SPECTRA, EQUILIBRIUM-CONSTANTS AND IONIZATION-POTENTIALS OF DONORS [J].
ALOISI, GG ;
SANTINI, S ;
SAVELLI, G .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1975, 71 :2045-2050
[6]   Mechanisms for formation, chlorination, dechlorination and destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) [J].
Altarawneh, Mohammednoor ;
Dlugogorski, Bogdan Z. ;
Kennedy, Eric M. ;
Mackie, John C. .
PROGRESS IN ENERGY AND COMBUSTION SCIENCE, 2009, 35 (03) :245-274
[7]   Bioenergy technologies, uses, market and future trends with Austria as a case study [J].
Anca-Couce, A. ;
Hochenauer, C. ;
Scharler, R. .
RENEWABLE & SUSTAINABLE ENERGY REVIEWS, 2021, 135
[8]  
Anderson J.B., 1974, Molecular Beams and Low Density Gasdynamics, P1, DOI 10.1002/0471238961.1301191913151518.a01.pub2.MolecularBeamsandLowDensityGasdynamics
[9]  
ANDRUZZI E, 1987, MAKROMOL CHEM, V188, P2643
[10]  
[Anonymous], 2019, 37 EASAC