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NEW EXPERIMENTAL EVIDENCES ABOUT THE FORMATION AND CONSUMPTION OF KETOHYDROPEROXIDES.
Proceedings of the Combustion Institute ( IF 3.4 ) Pub Date : 2011-12-01 , DOI: 10.1016/j.proci.2010.05.001
Frédérique Battin-Leclerc 1 , Olivier Herbinet , Pierre-Alexandre Glaude , René Fournet , Zhongyue Zhou , Liulin Deng , Huijun Guo , Mingfeng Xie , Fei Qi
Affiliation  

The formation of hydroperoxides postulated in all the kinetic models for the low temperature oxidation of alkanes have been experimentally proved thanks to a new type of apparatus associating a quartz jet-stirred reactor through a molecular-beam sampling system to a reflectron time-of-flight mass spectrometer combined with tunable synchrotron vacuum ultraviolet photoionization. This apparatus has been used to investigate the low-temperature oxidation of n-butane and has allowed demonstrating the formation of different types of alkylhydroperoxides, namely methylhydroperoxide, ethylhydroperoxide and butylhydroperoxide, and of C4 alkylhydroperoxides including a carbonyl function (ketohydroperoxides). In addition, the formation of products deriving from these ketohydroperoxides, such as C4 molecules including either two carbonyl groups or one carbonyl and one alcohol functions, has been observed. Simulations using a detailed kinetic model have been performed to support some of the assumptions made in this work.

中文翻译:

关于酮氢过氧化物的形成和消耗的新实验证据。

由于通过分子束采样系统将石英喷射搅拌反应器与反射器飞行时间相关联的新型装置,在所有用于烷烃低温氧化的动力学模型中假设的氢过氧化物的形成已得到实验证明质谱仪与可调谐同步加速器真空紫外光电离相结合。该设备已用于研究正丁烷的低温氧化,并已证明可以形成不同类型的烷基氢过氧化物,即甲基氢过氧化物、乙基氢过氧化物和丁基氢过氧化物,以及包括羰基官能团的 C4 烷基氢过氧化物(酮基氢过氧化物)的形成。此外,衍生自这些酮基氢过氧化物的产物的形成,已经观察到诸如包含两个羰基或一个羰基和一个醇官能团的C4分子。已经使用详细的动力学模型进行了模拟,以支持这项工作中所做的一些假设。
更新日期:2019-11-01
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