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Oxygen initiated combustion: Thermochemistry and kinetics of unsaturated hydrocarbons

✍ Scribed by Sidney W. Benson

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
466 KB
Volume
28
Category
Article
ISSN
0538-8066

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✦ Synopsis

The thermochemistry and kinetics of the initiation reactions involved in the oxidation of unsaturated fuels are explored. The thermochemistry of intermediate radicals, diradicals. and molecular species involved are estimated using group additivity with some assistance from bond additivity. Kinetic parameters are estimated with the techniques of thermochemical kinetics. ln the case of acetylene, estimated rate constants are in excellent agreement with experimental results o n the induction period and flame speed.

It is shown that the route initiated by 0, addition to an unsaturated carbon atom to produce a 1.4 diradical is faster than any other path available to form radicals capable of propagating a chain. The 1.4 diradicals so produced can generally cyclize to form a dioxetane which exothermically opens to a dialdehyde which is the ultimate radical source. Below 1000 K unsaturates will always initiate oxidation faster than saturated fuels.

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