Exploring low-temperature oxidation chemistry of 2-and 3-pentanone

被引:4
|
作者
Kang, Shiqing [1 ,2 ]
Liao, Wanxiong [1 ,2 ]
Sun, Wenyu [1 ,2 ]
Lin, Keli [1 ,2 ]
Liao, Handong [1 ,2 ]
Moshammer, Kai [4 ]
Dagaut, Philippe [5 ]
Hansen, Nils [3 ]
Yang, Bin [1 ,2 ]
机构
[1] Tsinghua Univ, Ctr Combust Energy, Beijing 100084, Peoples R China
[2] Tsinghua Univ, Key Lab Thermal Sci & Power Engn MOE, Beijing 100084, Peoples R China
[3] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA
[4] Phys Tech Bundesanstalt, Bundesallee 100, D-38116 Braunschweig, Germany
[5] CNRS, INSIS, ICARE, 1C Ave Rech Sci, F-45071 Orleans 2, France
基金
中国国家自然科学基金;
关键词
2-pentanone; 3-pentanone; Jet -stirred reactor; Rapid compression machine; Photoionization mass spectrometry; Ignition delay time; COEFFICIENT BEHAVIOR; COMBUSTION CHEMISTRY; KINETIC MECHANISM; H(O)OVER DOT(2); IGNITION DELAY; HIGH-PRESSURE; COMPRESSION; KETONES; FUELS; THERMOCHEMISTRY;
D O I
10.1016/j.combustflame.2022.112561
中图分类号
O414.1 [热力学];
学科分类号
摘要
The low-temperature oxidation chemistry of 2- and 3-pentanone was investigated over a wide range of conditions using a jet-stirred reactor (JSR) and a rapid compression machine (RCM). The JSR oxidation experiment was performed at the pressure of 93.3 kPa over a temperature range of 60 0-10 0 0 K. Detailed speciation information was obtained using synchrotron vacuum ultraviolet photoionization mass spectrometry. Ignition delay times (IDTs) of 2- and 3-pentanone were measured in an RCM from 640 to 820 K at pressures of 15 and 25 bar and an equivalence ratio of 1.0. The two C5 ketones showed NTC behavior and two-stage ignition phenomena. Mole fraction time histories of intermediate species during the twostage ignition process of both ketones were obtained using a fast-sampling system coupled with gas chromatography. There are distinct differences between 2- and 3-pentanone in species concentration profiles and IDTs. A kinetic mechanism for the low-temperature oxidation of 2- and 3-pentanone was developed, which can satisfactorily predict all available measurements. The reaction path analyses indicate that the intramolecular hydrogen migration reaction of ROO radicals tends to produce resonance-stabilized QOOH radical structures. The secondary oxygen addition reaction of resonance-stabilized QOOH radicals thus is the most important source of OH radicals in the low-temperature oxidation of ketone fuels. The intramolecular hydrogen migration reactions are slowed down in the presence of the carbonyl functional group, which makes the low-temperature reactivity of the two C5 ketones lower than that of n -pentane. The position of the carbonyl functional group affects the species pools during the oxidation of the two ketones to a great extent. Larger production of CH 4 , C 3 H 6 , CH 3 COCH 3 , and C 2 H 5 CHO were observed in 2-pentanone oxidation, while the production of CH 3 CHO was favored during 3-pentanone oxidation both in the JSR and RCM experiments. The different lengths of the carbon chain on both sides of the carbonyl group in 2- and 3-pentanone resulted in the difference in the species distribution. (c) 2022 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
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页数:13
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