大分子烷烃低温氧化实验与模型研究
Experimental and modeling study of the low-temperature oxidation of large alkanes
摘要：
本文对柴油中的大分子直链烷烃（从C10开始）在低温至中温（550-1100 K）包括负温度系数（NTC）区的氧化过程进行了实验和模拟研究。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。还讨论了C8至C16直链烷烃在点火延迟时间和轻产物形成方面的建模比较。
英文摘要：
This paper presents an experimental and modeling study of the oxidation of large linear akanes (from C10) 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 a 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 C8 to C16 in terms of ignition delay times and the formation of light products is also discussed.
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