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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Experimental and chemical kinetic modeling study of 3-pentanone oxidation
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Experimental and chemical kinetic modeling study of 3-pentanone oxidation

机译：3-戊酮氧化的实验和化学动力学建模研究

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Shock tube ignition delay times have been measured for 3-pentanone at a reflected shock pressure of 1 atm (±2%), in the temperature range 1250-1850 K, at equivalence ratios of 0.5-2.0 for O_2 mixtures in argon with fuel concentrations varying from 0.875 to 1.3125%. Laminar flame speeds have also been measured at an initial pressure of 1 atm over an equivalence ratio range. Complementary to previous studies [Pichon S., Black, G., Chaumeix, N., Yahyaoui, M., Simmie, J. M., Curran, H. J., Donohue, R. Combust. Flame, 2009, 156, 494-504; Serinyel, Z Black, G Curran, H. J Simmie, J. M. Combustion Sci. Tech., 2010, 182, 574-587], laminar flame speeds of 2-butanone have also been measured, and relative reactivities of these ketones have been compared and discussed. A chemical kinetic submechanism describing the oxidation of 3-pentanone has been developed and detailed in this paper; rate constants for unimolecular fuel decomposition reactions have been treated for falloff in pressure with nine-parameter fits using the Troe Formulism. Both compounds treated in this work may be used as fuel tracers, thus further ignition delay time measurements have been carried out by adding 3-pentanone to n-heptane in order to test the effect of the blend on ignition delay timing. It was found that the autoignition characteristics of n-heptane remained unaffected in the presence of 15% 3-pentanone in the fuel, consistent with results obtained using acetone and 2-butanone [Pichon S., Black, G., Chaumeix, N., Yahyaoui, M., Simmie, J. M., Curran, H. J., Donohue, R. Combust. Flame, 2009, 156, 494-504; Serinyel, Z Black, G Curran, H. J Simmie, J. M. Combustion Sci. Tech., 2010, 182, 574-587].
机译：在温度范围为1250-1850 K的氩气中，O_2混合物的当量比为0.5-2.0时，对于反射浓度为1 atm（±2％）的氩气，测量了3-戊酮的冲击管点火延迟时间。从0.875到1.3125％。还已经在当量比范围内以1个大气压的初始压力测量了层流火焰速度。与以前的研究互补[Pichon S.，Black，G.，Chaumeix，N.，Yahyaoui，M.，Simmie，J.M.，Curran，H.J.，Donohue，R.Combust。 《火焰》，2009，156，494-504; Serinyel，Z Black，G Curran，H.J Simmie，J.M。燃烧科学。 Tech。，2010，182，574-587]，还测量了2-丁酮的层流火焰速度，并对这些酮的相对反应性进行了比较和讨论。本文开发并详细描述了描述3-戊酮氧化的化学动力学亚机理。使用Troe Formulism使用九参数拟合对单分子燃料分解反应的速率常数进行了压力下降的处理。在这项工作中处理的两种化合物都可以用作燃料示踪剂，因此，通过向正庚烷中添加3-戊酮进行了进一步的点火延迟时间测量，以测试混合物对点火延迟正时的影响。发现在燃料中存在15％的3-戊酮时，正庚烷的自燃特性保持不变，这与使用丙酮和2-丁酮获得的结果一致[Pichon S.，Black，G.，Chaumeix，N.。 ，Yahyaoui，M.，Simmie，JM，Curran，HJ，Donohue，R.Combust。 《火焰》，2009，156，494-504; Serinyel，Z Black，G Curran，H.J Simmie，J.M。燃烧科学。 Tech。，2010，182，574-587]。

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