Kinetics for the reaction of phenyl radical with phenylacetylene and styrene

G. Nam, I. V. Tokmakov, J. Park, Ming-Chang Lin*


研究成果: Conference article同行評審

12 引文 斯高帕斯(Scopus)


The kinetics for the reactions of C6H5 with phenylacetylene and styrene have been measured by CRDS in the temperature range 297-409 K under an Ar pressure of 3.6 Torr. The total rate constants can be given by the following Arrhenius expressions (in units of cm3 mol-1 s-1): k1(C6H5 + C6H5C2H) = 1013.0±0.1 exp[-(2430 ± 150)/RT and k2(C6H5 + C6H5C2H3) = 10 13.3±0.1 exp [-(2570 ± 180)/T]. Additional DFT and MP2 calculations have been carried out to assist our interpretation of the measured kinetic data. The addition of C6H5 to the terminal CH x (x = 1 or 2) sites is predicted to be the dominant channel for both reactions. The calculated bimolecular rate constants are in reasonable agreement with experimental values for the temperature range studied.

頁(從 - 到)249-256
期刊Proceedings of the Combustion Institute
31 I
出版狀態Published - 1 1月 2007
事件31st International Symposium on Combustion - Heidelberg, Germany
持續時間: 5 8月 200611 8月 2006


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