Experimental and kinetic modeling studies of low- to moderate-temperature oxidation of 2-furfuryl alcohol in a jet-stirred reactor

IF 5.3 2区 工程技术 Q2 ENERGY & FUELS
Jinglan Wang , Xuezhi Gao , Weimeng Ding , Pengpeng Luan , Wang Li , Tenglong Lv , Zhanjun Cheng , Lixia Wei , Jiuzhong Yang , Long Zhao , Beibei Yan , Guanyi Chen
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引用次数: 1

Abstract

2-Furfuryl alcohol, a promising platform chemical, and alternative fuels or additives, is produced from the hydrogenation of furfural. However, the low- to moderate-temperature oxidation study of 2-furfuryl alcohol is scarce up to now. The present study first performed the oxidation experiments in a jet-stirred reactor at the equivalence ratios of 0.5, 1.0, and 2.0. The oxidation species were identified and measured by the synchrotron vacuum ultraviolet photoionization mass spectrometry. No negative-temperature-coefficient behavior was observed. A detailed kinetic model was developed to better understand the consumption of 2-furfuryl alcohol and the formation of oxidation products. The present model can well reproduce the experimental results. Based on the rate of production analysis, H-abstraction reactions on hydroxymethyl group forming hydroxyl(2-furyl)methyl radical are the dominant pathways. Besides, the formation and consumption of main products, such as furfural, furan, acrolein, acetaldehyde, etc., are also discussed. Fuel radicals control the formation of furfural. Furan has multiple formation sources, such as the H-addition reactions on 2-furfuryl alcohol, furfural, and 2-hydroxyfuran. Acrolein is produced by the H-addition reaction on 2-hydroxyfuran and OH-addition reactions on furan. Also, the present work compares and discusses peak concentration for major oxidation products of 2-furfuryl alcohol and 2-methyl furan under the same simulated condition. 2-Furfuryl alcohol oxidation produces a higher concentration of furfural, furan, and acrolein than that of 2-methyl furan. OH on hydroxymethyl group promotes the H-abstraction reactions on the side chain and inhibits the OH-addition reaction on the furan ring.

2-糠醇在喷射搅拌反应器中低温至中低温氧化的实验与动力学模型研究
2-糠醇是一种很有前途的平台化学品,也是替代燃料或添加剂,它是由糠醛加氢生产的。然而,目前对2-糠醇的中低温氧化反应的研究还很少。本研究首先在喷射搅拌反应器中,以0.5、1.0和2.0的当量比进行了氧化实验。采用同步加速器真空紫外光电离质谱法对氧化产物进行了鉴定和测定。未观察到负温度系数行为。为了更好地了解2-糠醇的消耗和氧化产物的形成,建立了详细的动力学模型。该模型能较好地再现实验结果。根据产率分析,羟甲基的吸氢反应形成羟基(2-呋喃基)甲基自由基是主要途径。此外,还对糠醛、呋喃、丙烯醛、乙醛等主要产品的形成和消费情况进行了讨论。燃料自由基控制糠醛的形成。呋喃有多种生成源,如2-呋喃醇、糠醛和2-羟基呋喃上的h加成反应。丙烯醛由2-羟基呋喃上的h加成反应和呋喃上的oh加成反应生成。并对2-糠醇和2-甲基呋喃在相同模拟条件下主要氧化产物的峰浓度进行了比较和讨论。2-呋喃醇氧化产生比2-甲基呋喃更高浓度的糠醛、呋喃和丙烯醛。羟基上的羟基促进侧链上的吸氢反应,抑制呋喃环上的加成反应。
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来源期刊
Proceedings of the Combustion Institute
Proceedings of the Combustion Institute 工程技术-工程:化工
CiteScore
7.00
自引率
0.00%
发文量
420
审稿时长
3.0 months
期刊介绍: The Proceedings of the Combustion Institute contains forefront contributions in fundamentals and applications of combustion science. For more than 50 years, the Combustion Institute has served as the peak international society for dissemination of scientific and technical research in the combustion field. In addition to author submissions, the Proceedings of the Combustion Institute includes the Institute''s prestigious invited strategic and topical reviews that represent indispensable resources for emergent research in the field. All papers are subjected to rigorous peer review. Research papers and invited topical reviews; Reaction Kinetics; Soot, PAH, and other large molecules; Diagnostics; Laminar Flames; Turbulent Flames; Heterogeneous Combustion; Spray and Droplet Combustion; Detonations, Explosions & Supersonic Combustion; Fire Research; Stationary Combustion Systems; IC Engine and Gas Turbine Combustion; New Technology Concepts The electronic version of Proceedings of the Combustion Institute contains supplemental material such as reaction mechanisms, illustrating movies, and other data.
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