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Pressure and temperature dependence of unimolecular bond fission reactions: An approach for combustion modelers

✍ Scribed by C.William Larson; Roger Patrick; David M. Golden

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 564 KB
Volume: 58
Category: Article
ISSN: 0010-2180
DOI: 10.1016/0010-2180(84)90109-3

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✦ Synopsis

There exists a well recognized need for a critical overview of the rate data that go into combustion modeling, Modelers should be able to consult tables of parameters for combustion-relevant reactions that would enable the calculation of relevant rate constants as a function of temperature and pressure over the entire range of interest. A complete tabulation would include both uni-and bimolecular reactions; in this paper we focus on the analysis of unimolecular reactions. The approach is illustrated with unimolecular "falloff'" calculations for formaldehyde, methane, ethane, butane, hexane, octane, and the ethyl radical.

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