Experimental and chemical kinetic modeling study of 3-pentanone oxidation.
Experimental and chemical kinetic modeling study of 3-pentanone oxidation.
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DOI：
10.1021/jp107167f
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发表时间：
2010-10
期刊：
影响因子：
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通讯作者：
Z. Serinyel;N. Chaumeix;G. Black;J. Simmie;H. J. Curran
中科院分区：
文献类型：
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作者：
Z. Serinyel;N. Chaumeix;G. Black;J. Simmie;H. J. Curran
在1250-1850 K温度范围内，在反射激波压力为1atm（±2%），当量比为0.5-2.0，燃料浓度为0.875 - 1.3125%的条件下，测量了3-戊酮的激波管点火延迟时间。层流火焰速度也已被测量在初始压力为1个大气压的当量比范围内。补充以前的研究[Pichon S.，布莱克，Chaumeix，N.，Yahyaoui，M.，Simmie，J.M.，Curran，H. J.，多诺霍河燃烧Flame，2009，156，494-504; Serinyel，Z.; Black，G.; Curran，H. J.道：Simmie，J. M.燃烧科学技术人员：2010，182，574-587]，还测量了2-丁酮的层流火焰速度，并比较和讨论了这些酮的相对反应性。本文提出并详细描述了3-戊酮氧化反应的化学动力学子机理;采用Troe公式，用九参数拟合法处理了单分子燃料分解反应的速率常数随压力下降的情况。本工作中处理的两种化合物均可用作燃料示踪剂，因此通过将3-戊酮添加到正庚烷中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时间的影响。发现在燃料中存在15%3-戊酮的情况下，正庚烷的自燃特性保持不受影响，这与使用丙酮和2-丁酮获得的结果一致[Pichon S.，布莱克，Chaumeix，N.，Yahyaoui，M.，Simmie，J.M.，Curran，H. J.，多诺霍河燃烧Flame，2009，156，494-504; Serinyel，Z.; Black，G.; Curran，H. J.道：Simmie，J. M.燃烧科学技术人员：2010，182，574-587]。
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].