A mathematical model for calculating the increase in the cetane number of diesel fuels in the presence of an ignition initiator

被引：0
作者：
V. A. Lyubimenko
A. M. Danilov
S. I. Kolesnikov
I. M. Kolesnikov
机构：
[1] I. M. Gubkin Russian State University of Oil and Gas,
来源：
Chemistry and Technology of Fuels and Oils | 2010年 / 46卷
关键词：
Spin Density; Cetane Number; HONO; Diesel Fuel; Spin Density Distribution;
D O I：
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中图分类号：
学科分类号：
摘要：
A mathematical model was developed for calculating the increase in the cetane number of diesel fuels in the presence of the ignition initiator 2-ethylhexyl nitrate (EHN) as a function of the initial cetane number of the fuel and the concentration of EHN. The accuracy of the results of the calculations with the model is as good as the accuracy obtained on a bench unit. A mechanism of the reaction of EHN with the hydrocarbons in diesel fuel is proposed based on calculations with the PM6 semiempirical quantum-chemical method.
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页码：298 / 308
页数：10
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