An experimental and modeling study of the low- and high-temperature oxidation of cyclohexane.
An experimental and modeling study of the low- and high-temperature oxidation of cyclohexane.
复制标题
DOI：
10.1016/j.combustflame.2013.05.016
复制
发表时间：
2013-11
影响因子：
4.4
通讯作者：
Battin-Leclerc, Frederique
中科院分区：
文献类型：
--
作者：
Serinyel, Zeynep;Herbinet, Olivier;Frottier, Ophelie;Dirrenberger, Patricia;Warth, Valerie;Glaude, Pierre Alexandre;Battin-Leclerc, Frederique
环己烷的氧化的实验研究已在喷射搅拌反应器中进行，温度范围从500至1100 K（低和中温区，包括负温度系数区域），在2秒的停留时间和稀释的混合物的当量比为0.5，1，和2。实验在准大气压（1.07巴）下进行。使用在线气相色谱法测量燃料和反应产物摩尔分数。本研究共检测并定量了34种反应产物。在环己烷的低温氧化中形成的典型反应产物包括环醚（1，2-环氧环己烷和1，4-环氧环己烷）、5-己烯醛（由1，3-环氧环己烷的快速分解形成）、环己酮和环己烯，以及苯和苯酚。环己烷在当量比为0.5和1时表现出很高的低温反应性，并具有显著的负温度系数（NTC）行为。富燃料系统（λ = 2）在相同区域的反应性要小得多，并且没有NTC。据我们所知，这是第一个喷射搅拌反应器的研究报告NTC在环己烷氧化。层流燃烧速度也测量了加热燃烧器的方法在初始气体温度为298，358，和398 K和在1个大气压。层流燃烧速度值峰值在λ = 1.1和测量为40和63.1厘米/秒，分别为Ti = 298和398 K。一个更新的详细的化学动力学模型，包括低温途径被用来模拟本（射流搅拌反应器和层流燃烧速度）和文献实验（层流燃烧速度，快速压缩机，激波管点火延迟时间）的数据。合理的协议是观察到在我们的反应器中观察到的大多数产品，以及在本文中考虑的文献实验数据。
The experimental study of the oxidation of cyclohexane has been performed in a jet-stirred reactor at temperatures ranging from 500 to 1100 K (low- and intermediate temperature zones including the negative temperature-coefficient area), at a residence time of 2 s and for dilute mixtures with equivalence ratios of 0.5, 1, and 2. Experiments were carried out at quasi-atmospheric pressure (1.07 bar). The fuel and reaction product mole fractions were measured using online gas chromatography. A total of 34 reaction products have been detected and quantified in this study. Typical reaction products formed in the low-temperature oxidation of cyclohexane include cyclic ethers (1,2-epoxycyclohexane and 1,4-epoxycyclohexane), 5-hexenal (formed from the rapid decomposition of 1,3-epoxycyclohexane), cyclohexanone, and cyclohexene, as well as benzene and phenol. Cyclohexane displays high low-temperature reactivity with well-marked negative temperature-coefficient (NTC) behavior at equivalence ratios 0.5 and 1. The fuel-rich system (ϕ = 2) is much less reactive in the same region and exhibits no NTC. To the best of our knowledge, this is the first jet-stirred reactor study to report NTC in cyclohexane oxidation. Laminar burning velocities were also measured by the heated burner method at initial gas temperatures of 298, 358, and 398 K and at 1 atm. The laminar burning velocity values peak at ϕ = 1.1 and are measured as 40 and 63.1 cm/s for Ti = 298 and 398 K, respectively. An updated detailed chemical kinetic model including low-temperature pathways was used to simulate the present (jet-stirred reactor and laminar burning velocity) and literature experimental (laminar burning velocity, rapid compression machine, and shock tube ignition delay times) data. Reasonable agreement is observed with most of the products observed in our reactor, as well as the literature experimental data considered in this paper.
登录
查看更多内容
DOI：
10.1039/f29898501799
发表时间：
1989-11-01
期刊：
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II
影响因子：
--
作者：
GULATI, SK;WALKER, RW
通讯作者：
WALKER, RW
影响因子：
9
作者：
Gillespie, Fiona;Metcalfe, Wayne K.;Dirrenberger, Patricia;Herbinet, Olivier;Glaude, Pierre-Alexandre;Battin-Leclerc, Frederique;Curran, Henry J.
通讯作者：
Curran, Henry J.
影响因子：
5.3
作者：
Biet, Joffrey;Hakka, Mohammed Hichem;Battin-Leclerc, Frederique
通讯作者：
Battin-Leclerc, Frederique
影响因子：
4.4
作者：
Buda, F;Bounaceur, R;Battin-Leclerc, F
通讯作者：
Battin-Leclerc, F
影响因子：
4.4
作者：
BAULCH, DL;COBOS, CJ;WARNATZ, J
通讯作者：
WARNATZ, J