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An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures

机译:正丁基苯/空气混合物的激波管和快速压缩机着火的实验和模型研究

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摘要

In our previous work (D. Darcy, C.J. Tobin, K. Yasunaga, J.M. Simmie, J. Wurmel, W.K. Metcalfe, T. Niass, S.S. Ahmed, C.K. Westbrook, H.J. Curran, Combust. Flame 159 (2012) 2219-2232), ignition delay times of n-butylbenzene in air were measured using a shock tube over a temperature range of 980-1360 K, at reflected shock pressures of 1, 10, and 30atm, and at equivalence ratios of 0.3, 0.5, 1.0 and 2.0. In the present study, these measurements have been extended to 50 atm and to lower temperatures using a rapid compression machine in the temperature range 730-1020 K, at compressed gas pressures of 10, 30 and 50 atm, over the same equivalence ratio range. Trends in ignition delay times over the wide temperature range were identified. The chemical kinetic model for n-butylbenzene, which was validated for the original shock tube data, was extended by adding low-temperature kinetics. The updated chemical kinetic model captures the general trend in reactivity of n-butylbenzene over the wide range of temperature, pressure and equivalence ratio conditions studied. Reaction flux analyses were carried out and it was found that fuel H-atom abstraction reactions forming the 4-phenylbut-4-yl radical, and its subsequent addition to molecular oxygen, is the primary source of reactivity in the low-temperature regime. High sensitivity to ignition delay time of the isomerization reactions of alkylperoxy, RO_2 = QOOH, and peroxy-alkylhydroperoxide radicals, O_2QOOH = carbonylhydroperoxide + OH, was also observed at low-temperatures. Comparisons are also made with experimental data obtained for n-propylbenzene over the same range of conditions and common trends are highlighted. It was found that, in general, n-butylbenzene was faster to ignite over the lower temperature range of 650-1000 K.
机译:在我们之前的工作中(D.Darcy,CJ Tobin,K.Yasunaga,JM Simmie,J.Wurmel,WK Metcalfe,T.Niass,SS Ahmed,CK Westbrook,HJ Curran,Combust.Flame 159(2012)2219-2232) ,使用冲击管在980-1360 K的温度范围内,反射冲击压力分别为1、10和30atm,当量比为0.3、0.5、1.0和2.0的条件下,测量空气中正丁苯的点火延迟时间。在本研究中,在相同的当量比范围内,使用快速压缩机在730-1020 K的温度范围内,压缩气体压力分别为10、30和50 atm的情况下,这些测量已扩展到50 atm和更低的温度。确定了在宽温度范围内点火延迟时间的趋势。通过添加低温动力学扩展了正丁基苯的化学动力学模型,该模型已针对原始激波管数据进行了验证。更新的化学动力学模型捕获了在研究的温度,压力和当量比条件的较宽范围内正丁基苯反应性的一般趋势。进行了反应通量分析,发现形成4-苯基丁-4-基自由基的燃料H原子抽象反应及其随后添加到分子氧中,是低温条件下反应性的主要来源。在低温下,还观察到烷基过氧化物RO_2 = QOOH和过氧烷基氢过氧化物自由基O_2QOOH =羰基氢过氧化物+ OH对异构化反应的点火延迟时间高度敏感。还与在相同条件下获得的正丙基苯的实验数据进行了比较,并突出了共同的趋势。已发现,通常,正丁苯在650-1000 K的较低温度范围内点燃更快。

著录项

  • 来源
    《Combustion and Flame》 |2014年第1期|49-64|共16页
  • 作者单位

    Combustion Chemistry Centre, National University of Ireland, Calway, Ireland,Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan;

    Combustion Chemistry Centre, National University of Ireland, Calway, Ireland;

    Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan;

    Combustion Chemistry Centre, National University of Ireland, Calway, Ireland;

    Combustion Chemistry Centre, National University of Ireland, Calway, Ireland;

    Lawrence Livermore National Laboratory, CA 94551, USA;

    Lawrence Livermore National Laboratory, CA 94551, USA;

    Combustion Chemistry Centre, National University of Ireland, Calway, Ireland;

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

    Ignition delay times; n-Butylbenzene; Oxidation; Shock tube; Rapid compression machine;

    机译:点火延迟时间;正丁基苯;氧化;避震管;快速压缩机;

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