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

作者：Herbinet Olivier; Battin Leclerc Frederique^*; Bax Sarah; Le Gall Herve; Glaude Pierre Alexandre; Fournet Rene; Zhou Zhongyue; Deng Liulin; Guo Huijun; Xie Mingfeng; Qi Fei

来源：Physical Chemistry Chemical Physics, 2011, 13(1): 296-308.

DOI：10.1039/c0cp00539h

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, C-1, C-2 and C-4 alkylhydroperoxides and C-4 ketohydroperoxides. 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.

• 出版日期2011
• 单位中国科学技术大学