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Kinetic study of fuel NO formation from pyrrole type nitrogen

机译：吡咯型氮形成燃料NO的动力学研究

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摘要

An experimental study using a flow reactor and a numerical simulation with a detailed kinetic model have been performed to investigate the reaction mechanism of NO formation from pyrrole decomposition. The experiments have been conducted in a quartz flow reactor by using a mixture gas of pyrrole, O_2 and H_2O with N_2 as a balance gas at atmospheric pressure and temperature range 800-1400 K. The detailed kinetic model consists of 505 elementary reactions and 89 chemical species, and the plug flow calculations have been carried out under same conditions as experiments. Model predictions are in reasonably good agreement with the experimental data for NO formation from pyrrole. Model predictions indicate that the main reaction pathways from pyrrole to HCN are direct reaction by pyrrole pyrolysis and pyrolysis reaction of HNCPROP (HN=CH-CH=C=CH_2) generated by ring scission reaction of pyrrole. HCN is converted to N_2 or NO via NCO and about 90% of nitrogen in pyrrole is transformed to N_2 or NO at the temperature of above 1400 K. The residence time has little influence on the reaction rate and the reaction rate largely depends on the reaction temperature.
机译：已经进行了使用流动反应器的实验研究以及具有详细动力学模型的数值模拟，以研究由吡咯分解生成NO的反应机理。实验是在大气压和温度范围800-1400 K下，使用吡咯，O_2和H_2O与N_2的混合气体作为平衡气体在石英流动反应器中进行的。详细的动力学模型由505个基本反应和89个化学反应组成。种类和塞流的计算已在与实验相同的条件下进行。模型预测与由吡咯形成NO的实验数据相当吻合。模型预测表明，从吡咯到HCN的主要反应途径是吡咯热解直接反应和吡咯的断裂反应产生的HNCPROP的热解反应（HN = CH-CH = C = CH_2）。 HCN通过NCO转化为N_2或NO，吡咯中约90％的氮在1400 K以上的温度下转化为N_2或NO。停留时间对反应速率的影响很小，反应速率很大程度上取决于反应温度。

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  • 来源
    《Fuel》 |2012年第2012期|p.213-220|共8页
  • 作者

    Tsuyoshi Yamamoto; Takuya Kuwahara; Koichi Nakaso; Takahisa Yamamoto;

  • 作者单位

    Department of Chemical Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan;

    Department of Chemical Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan;

    Department of Chemical Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan;

    Department of Mechanical Engineering, Kobe City College of Technology, 8-3 Gakuenhigashimachi, Nishi-ku, Kobe 651-2194, Japan;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    pyrrole; NO formation; fuel NO; kinetic study; flow reactor;

    机译：吡咯没有形成;燃油NO;动力学研究流动反应器;

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