✦ LIBER ✦

Kinetic modeling of the CH3 + C2H2 reaction data with sensitivity analyses

✍ Scribed by Eric W. Diau; M. C. Lin

Publisher: John Wiley and Sons
Year: 1995
Tongue: English
Weight: 639 KB
Volume: 27
Category: Article
ISSN: 0538-8066
DOI: 10.1002/kin.550270904

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✦ Synopsis

Kinetic modeling and sensitivity analyses for the reaction CH3 + C2Hz+CH3CzHz (4) have been performed according to the experimental conditions and results of Mandelcorn and Steacie, Garcia Dominguez and Trotman-Dickenson, and Holt and Kerr. The kinetically modeled results show that Mandelcorn and Steacie overestimated the rate constant of reaction (4) whereas Garcia Dominguez and Trotman-Dickenson underestimated it, and that there could be significant uncertainty in the steady-state treated results of Holt and Kerr. Reanalysis of Garcia Dominguez and Trotman-Dickenson's experimental data by kinetic modeling with the proper mechanism gives a more reliable rate constant for reaction (4). The improved rate constant (k4) is in good agreement with our theoretically predicted values.

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