Experimental and modeling study of the low-temperature oxidation of large alkanes
Experimental and modeling study of the low-temperature oxidation of large alkanes
复制标题
DOI：
10.1021/ef8000746
复制
发表时间：
2008-07-01
期刊：
影响因子：
5.3
通讯作者：
Battin-Leclerc, Frederique
中科院分区：
文献类型：
--
作者：
Biet, Joffrey;Hakka, Mohammed Hichem;Battin-Leclerc, Frederique
本文介绍了柴油中具有代表性的大直链烷烃（C-10）在低温至中温（550-1100 K）（包括负温度系数（NTC）区）氧化的实验和模拟研究。在常压射流搅拌反应器中对正癸烷和正癸烷/正十六烷混合物进行了实验研究。详细的动力学机制已经开发出使用计算机辅助生成（EXGAS）与改进的规则编写的主要产品的反应。这些机制允许获得的实验结果的正确模拟。来自文献的数据的氧化正癸烷，在喷射搅拌反应器在10巴和激波管，和正十二烷在加压流反应器中也被正确地建模。与我们以前的模型相比，得到了相当大的改进的产品形成的预测。为了更好地了解初级产品反应的影响，进行了流速和敏感性分析。直链烷烃的点火延迟时间和轻产物的形成方面的C-8-C-16之间的建模比较也进行了讨论。
This paper presents an experimental and modeling study of the oxidation of large linear akanes (from C-10) representative from diesel fuel from low to intermediate temperature (550-1100 K) including the negative temperature coefficient (NTC) zone. The experimental study has been performed in a jet-stirred reactor at atmospheric pressure for n-decane and an n-decane/n-hexadecane blend. Detailed kinetic mechanisms have been developed using computer-aided generation (EXGAS) with improved rules for writing reactions of primary products. These mechanisms have allowed a correct simulation of the experimental results obtained. Data from the literature for the oxidation of n-decane, in a jet-stirred reactor at 10 bar and in shock tubes, and of n-dodecane in a pressurized flow reactor have also been correctly modeled. A considerable improvement of the prediction of the formation of products is obtained compared to our previous models. Flow rates and sensitivity analyses have been performed in order to better understand the influence of reactions of primary products. A modeling comparison between linear alkanes for C-8-C-16 in terms of ignition delay times and the formation of light products is also discussed.