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Detailed product analysis during the low temperature oxidation of n-butane

机译:正丁烷低温氧化过程中的详细产品分析

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The products obtained from the low-temperature oxidation of n-butane in a jet-stirred reactor (JSR) have been analysed using two methods: gas chromatography analysis of the outlet gas and reflectron time-of-flight mass spectrometry. The mass spectrometer was combined with tunable synchrotron vacuum ultraviolet photoionization and coupled with a JSR via a molecular-beam sampling system. Experiments were performed under quasi-atmospheric pressure, for temperatures between 550 and 800 K, at a mean residence time of 6 s and with a stoichiometric n-butane/oxygen/argon mixture (composition = 4/26/70 in mol%). 36 reaction products have been quantified, including in addition to the usual oxidation products, acetic acid, hydrogen peroxide, Q, C2 and C4 alkylhydroperoxides and C4 ketbhydroperoxides. Evidence of the possible formation of products (dihydrofuranes, furanones) derived from cyclic ethers has also been found. The performance of a detailed kinetic model of the literature has been assessed with the simulation of the formation of this extended range of species. These simulations have also allowed the analysis of possible pathways for the formation of some obtained products.
机译:使用两种方法分析了在喷射搅拌反应器(JSR)中从正丁烷的低温氧化反应中获得的产物:出口气体的气相色谱分析和反射电子飞行时间质谱。质谱仪与可调谐同步加速器真空紫外光电离结合,并通过分子束采样系统与JSR耦合。实验在准大气压下进行,温度为550至800 K,平均停留时间为6 s,使用化学计量的正丁烷/氧气/氩气混合物(摩尔比为4/26/70)。定量了36种反应产物,除了通常的氧化产物外,还包括乙酸,过氧化氢,Q,C2和C4烷基氢过氧化物和C4酮氢过氧化物。还发现了可能形成源自环醚的产物(二氢呋喃,呋喃酮)的证据。通过模拟这种扩展范围物种的形成,已经评估了详细的动力学模型的性能。这些模拟还允许分析某些获得的产物形成的可能途径。

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