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- W2317991243 abstract "1. Abstract We describe our initial efforts at extending chemical kinetic databases for combustion simulations from a typical linear alkane (heptane) to a branched aromatic. The focus of the work is on the pyrolytic decomposition of butylbenzene. Particular attention is paid to the decomposition of the six phenylbutyl and the two phenylethyl radicals. It is clear that the side chain will be destroyed before significant reactions can occur with the benzene ring. For the actual cracking reactions, the introduction of the aromatic group increases as well as decreases the reactivity of the phenylbutyl radicals that are formed. Resonance stabilized phenylbutyl radicals are more stable than their alkyl counterparts. On the other hand if a non-resonance stabilized radical can decompose to a resonance stabilized structure rate constants become larger. There is much more variability in the rates of butylbenzene radical decomposition than the comparable linear alkyls. Extension of the pyrolytic situation to oxidative combustion is also discussed and the greater complexity of the mechanism is manifest. The special requirements for a kinetic database consisting of mixtures of fuels are discussed" @default.
- W2317991243 created "2016-06-24" @default.
- W2317991243 creator A5075187672 @default.
- W2317991243 date "2005-01-10" @default.
- W2317991243 modified "2023-09-26" @default.
- W2317991243 title "Butylbenzene Combustion Kinetics Database" @default.
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- W2317991243 doi "https://doi.org/10.2514/6.2005-1312" @default.
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