Progress toward a unified detailed kinetic model for the autoignition of alkanes from C4 to C10 between 600 and 1200 K
Progress toward a unified detailed kinetic model for the autoignition of alkanes from C4 to C10 between 600 and 1200 K
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DOI：
10.1016/j.combustflame.2005.03.005
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发表时间：
2005-07-01
影响因子：
4.4
通讯作者：
Battin-Leclerc, F
中科院分区：
文献类型：
--
作者：
Buda, F;Bounaceur, R;Battin-Leclerc, F
利用EXGAS软件自动生成的详细动力学机理，提出了一个具有单一动力学参数的统一模型，用于模拟多种烷烃的自燃延迟时间。这些验证是基于在激波管和快速压力机中获得的最新文献数据。所研究的化合物为正丁烷、正戊烷、异戊烷、新戊烷、2-甲基戊烷、正庚烷、异辛烷、正十烷以及正庚烷和异辛烷的混合物。实验条件为：温度600~1200K，压力1~50bar，当量比0.5~2，温度600~1200K，负温系数(NTC)区，并对正庚烷进行了灵敏度分析。利用生成机制对正庚烷的9种异构体进行了模拟计算，结果表明，在4bar的快速压缩装置上，650K时，自燃延迟时间的变化规律与辛烷值的变化规律一致。从理论上研究了压力(3~200bar)的影响。(C)2005年，燃烧研究所。爱思唯尔公司出版，版权所有。
A unified model with a single set of kinetic parameters has been proposed for modeling the autoignition delay times of a wide range of alkanes using detailed kinetic mechanisms automatically generated by software EXGAS. The validations were based on recent data of the literature obtained in shock tubes and in rapid compression machines. The compounds studied were n-butane, n-pentane, iso-pentane, neo-pentane, 2-methylpentane, n-heptane, iso-octane, n-decane, and mixtures of n-heptane and iso-octane. Investigated conditions are the following: temperatures range from 600 to 1200 K, including the negative temperature coefficient (NTC) region, pressures range from 1 to 50 bar, and equivalence ratios range from 0.5 to 2. Tests were also performed for results obtained in a jet-stirred reactor and a sensitivity analysis was performed in the case of n-heptane. Simulations using generated mechanisms for the nine isomers of heptane were performed and showed that the variations of autoignition delay times follows globally well that of octane numbers at 650 K in a rapid compression machine at 4 bar. The influence of pressure (from 3 to 200 bar) was theoretically investigated. (c) 2005 The Combustion Institute. Published by Elsevier Inc. All rights reserved.