A new method of processing the time-concentration data of reaction kinetics

Yeow, Y. Leong, Wickramasinghe, S. Ranil, Han, Binbing, and Leong, Yee-Kwong (2003) A new method of processing the time-concentration data of reaction kinetics. Chemical Engineering Science, 58 (16). pp. 3601-3610.

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Experimental data of reaction kinetics are usually in the form of concentration versus time. For kinetics investigation it is more convenient to have the data in the form of reaction rate versus concentration. Converting time-concentration data into concentration-reaction rate data is an ill-posed problem in the sense that if inappropriate methods are used the noise in the original data will be amplified leading to unreliable results. This paper describes a conversion procedure, independent of reaction rate model or mechanism, that manages to keep noise amplification under control. The performance of this procedure is demonstrated by applying it to several sets of published kinetic data. Since these data are accompanied by their rate equations, the computed rates are used to obtain the unknown parameters in these equations. Comparison of these parameters with published figures and the ease with which they are obtained highlights the advantages of the new procedure.

Item ID: 6069
Item Type: Article (Research - C1)
ISSN: 1873-4405
Keywords: inverse Problem; kinetics; modelling; parameter identification; reaction engineering; tikhonov regularisation
Date Deposited: 15 Jan 2010 00:06
FoR Codes: 09 ENGINEERING > 0904 Chemical Engineering > 090499 Chemical Engineering not elsewhere classified @ 100%
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