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• W2041409101 abstract "Reactions which proceed through energized adducts, including radical recombinations, insertions, and addition to unsaturates, frequently exhibit unusual kinetic behavior. The branching ratios among various product channels are often complex functions of both temperature and pressure. Four such reactions involving methyl radicals are analyzed by combining chemical activation distribution functions with QRRK methods to predict rate constants for each channel. These include three oxidation paths, CH3 + O, CH3 + O2, CH3 + OH, and the addition reaction CH3 + C2H2. These predictions are compared to experiments wherever possible; generally, the agreement is quite satisfactory. Analysis of the energetics of the various reaction channels, using parameters which are readily available, provides a convenient framework for prediction. Suggested rate constants for the various channels for the four reactions are given at three pressures, 20, 760, and 7600 Torr, for the temperature range 300–2500 K. The approach used here can easily be applied to other reactions." @default.
• W2041409101 created "2016-06-24" @default.
• W2041409101 creator A5002324844 @default.
• W2041409101 creator A5087169660 @default.
• W2041409101 date "1987-03-01" @default.
• W2041409101 modified "2023-09-27" @default.
• W2041409101 title "Bimolecular QRRK analysis of methyl radical reactions" @default.
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• W2041409101 doi "https://doi.org/10.1002/kin.550190305" @default.
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