Comparative study of the high-temperature auto-ignition of cyclopentane and tetrahydrofuran

IF 1.5 4区 化学 Q4 CHEMISTRY, PHYSICAL International Journal of Chemical Kinetics Pub Date : 2023-12-11 DOI:10.1002/kin.21703
Hong-Quan Do, Benoîte Lefort, Zeynep Serinyel, Luis LeMoyne, Guillaume Dayma
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Abstract

Cyclopentane (C5H10) and tetrahydrofuran (C4H8O) are both five-membered ring compounds. The present study compares the auto-ignition of cyclopentane and tetrahydrofuran in a high-pressure shock-tube (20 atm). Twelve different mixtures were investigated at two different fuel initial mole fractions (1% and 2%): at Xfuel = 1%, three equivalence ratios, kept constant between cyclopentane and tetrahydrofuran, were studied (0.5, 1, and 2), whereas three Xfuel/XO2 were investigated when Xfuel = 2%. A detailed kinetic mechanism was developed to reproduce cyclopentane and tetrahydrofuran auto-ignition. The agreement between our experimental results and the modeling is very good. This mechanism was used to explain the similarities and differences observed between cyclopentane and tetrahydrofuran auto-ignition.

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环戊烷和四氢呋喃高温自燃比较研究
环戊烷(C5H10)和四氢呋喃(C4H8O)都是五元环化合物。本研究比较了环戊烷和四氢呋喃在高压冲击管(20 atm)中的自燃情况。在两种不同的燃料初始摩尔分数(1% 和 2%)条件下,研究了 12 种不同的混合物:在 Xfuel = 1%时,研究了环戊烷和四氢呋喃之间保持不变的三种当量比(0.5、1 和 2),而在 Xfuel = 2% 时,研究了三种 Xfuel/XO2 的当量比。为再现环戊烷和四氢呋喃的自燃,我们建立了一个详细的动力学机制。实验结果与模型之间的一致性非常好。这一机制被用来解释环戊烷和四氢呋喃自燃之间的异同。
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来源期刊
CiteScore
3.30
自引率
6.70%
发文量
74
审稿时长
3 months
期刊介绍: As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.
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