New insights into the low-temperature oxidation of 2-methylhexane

被引：38

作者：

Wang, Zhandong ^{[1
]}

Mohamed, Samah Y. ^{[1
]}

Zhang, Lidong ^{[2
]}

Moshammer, Kai ^{[3
]}

Popolan-Vaida, Denisia M. ^{[4
,5
]}

Shankar, Vijai Shankar Bhavani ^{[1
]}

Lucassen, Arnas ^{[6
]}

Ruwe, Lena ^{[7
]}

Hansen, Nils ^{[3
]}

Dagaut, Philippe ^{[8
]}

Sarathy, S. Mani ^{[1
]}

机构：

[1] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia

[2] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China

[3] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA

[4] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

[5] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA

[6] Phys Tech Bundesanstalt, Bundesallee 100, D-38116 Braunschweig, Germany

[7] Univ Bielefeld, Dept Chem, D-33615 Bielefeld, Germany

[8] CNRS, INSIS, 1C,Ave Rech Sci, F-45071 Orleans 2, France

来源：

PROCEEDINGS OF THE COMBUSTION INSTITUTE | 2017年 / 36卷 / 01期

基金：

欧洲研究理事会;

关键词：

Auto-oxidation; Highly oxidized multifunctional molecules; Peroxides; Alternative isomerization; Synchrotron VUV photoionization mass spectrometry; PRESSURE RATE RULES; IGNITION; COMBUSTION; GASOLINE; HEPTANE; THERMODYNAMICS; CHEMISTRY; PATHWAYS; KINETICS; FUELS;

D O I：

10.1016/j.proci.2016.06.085

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

In this work, we studied the low-temperature oxidation of a stoichiometric 2-methylhexane/O-2/Ar mixture in a jet-stirred reactor coupled with synchrotron vacuum ultraviolet photoionization molecular-beam mass spectrometry. The initial gas mixture was composed of 2% 2-methyhexane, 22% O-2 and 76% Ar and the pressure of the reactor was kept at 780 Torr. Low-temperature oxidation intermediates with two to five oxygen atoms were observed. The detection of C7H14O5 and C7H12O4 species suggests that a third O-2 addition process occurs in 2-methylhexane low-temperature oxidation. A detailed kinetic model was developed that describes the third O-2 addition and subsequent reactions leading to C7H14O5 (keto-dihydroperoxide and dihydroperoxy cyclic ether) and C7H12O4 (diketo-hydroperoxide and keto-hydroperoxy cyclic ether) species. The kinetics of the third O-2 addition reactions are discussed and model calculations were performed that reveal that third O-2 addition reactions promote 2-methylhexane auto-ignition at low temperatures. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.

引用

页码：373 / 382

页数：10

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