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Evaluation of the rate constants in chemical reactions

✍ Scribed by M. Tadi; Richard A. Yetter

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 184 KB
Volume: 30
Category: Article
ISSN: 0538-8066
DOI: 10.1002/(sici)1097-4601(1998)30:2<151::aid-kin7>3.0.co;2-r

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✦ Synopsis

This article is concerned with the application of a new method to recover the rate constants in chemical reactions. The method is based on treating the unknown parameters as time dependent. With appropriate experimental data the unknown rate constants are guided from an arbitrary initial condition to their true value at a final time. An explicit equation describing the time evolution of the parameters is obtained by minimizing the error along the trajectory. The method leads to an iterative algorithm which is described in detail. Numerical results with the method indicate that accurate estimates of the rate constants can be obtained directly from experimental data.

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