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通过稳定冷火焰深入了解臭氧辅助的二甲醚低温燃烧

Insight into the Ozone-Assisted Low-Temperature Combustion of Dimethyl Ether by Means of Stabilized Cool Flames.

作者信息

Panaget Thomas, Mokrani Nabil, Batut Sébastien, Lahccen Amaury, Fenard Yann, Pillier Laure, Vanhove Guillaume

机构信息

University of Lille, CNRS, UMR 8522-PC2A-Physicochimie des Processus de Combustion et de l'Atmosphère, F-59000 Lille, France.

出版信息

J Phys Chem A. 2021 Oct 21;125(41):9167-9179. doi: 10.1021/acs.jpca.1c05583. Epub 2021 Oct 12.

DOI:10.1021/acs.jpca.1c05583
PMID:34636244
Abstract

The low-temperature combustion kinetics of dimethyl ether (DME) were studied by means of stabilized cool flames in a heated stagnation plate burner configuration using ozone-seeded premixed flows of DME/O. Direct imaging of CHO* chemiluminescence and laser-induced fluorescence of CHO were used to determine the flame front positions in a wide range of lean and ultra-lean equivalence ratios and ozone concentrations for two strain rates. The temperature and species mole fraction profiles along the flame were measured by coupling thermocouples, gas chromatography, micro-chromatography, and quadrupole mass spectrometry analysis. A new kinetic model was built on the basis of the Aramco 1.3 model, coupled with a validated submechanism of O chemistry, and was updated to improve the agreement with the obtained experimental results and experimental data available in the literature. The main results show the efficiency of the tested model to predict the flame front position and temperature in every tested condition, as well as the importance of reactions typical of atmospheric chemistry in the prediction of cool flame occurrence. The agreement on the fuel and major products is overall good, except for methanol, highlighting some missing kinetic pathways for the DME/O/O system, possibly linked to the direct addition of atomic oxygen on the fuel radical, modifying the product distribution after the cool flame.

摘要

采用加热滞止平板燃烧器结构,利用含臭氧的二甲醚/氧气预混气流中的稳定冷火焰,研究了二甲醚(DME)的低温燃烧动力学。利用CHO*化学发光直接成像和CHO的激光诱导荧光,在两种应变率下,测定了宽范围贫燃和超贫燃当量比以及臭氧浓度下的火焰前沿位置。通过耦合热电偶、气相色谱、微型色谱和四极杆质谱分析,测量了沿火焰的温度和物种摩尔分数分布。在阿美科1.3模型的基础上,结合经过验证的O化学子机理,建立了一个新的动力学模型,并对其进行更新,以提高与获得的实验结果以及文献中现有实验数据的一致性。主要结果表明,所测试的模型能够有效地预测每个测试条件下的火焰前沿位置和温度,以及大气化学典型反应在预测冷火焰出现中的重要性。除甲醇外,燃料和主要产物的一致性总体良好,这突出了二甲醚/氧气/臭氧体系中一些缺失的动力学途径,可能与原子氧直接加成到燃料自由基上有关,从而改变了冷火焰后的产物分布。

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