Application of complex reaction kinetic models in thermal analysis. The least squares evaluation of series of experiments

Várhegyi, Gábor and Antal, Michael J. and Szabó, Piroska and Jakab, Emma and Till, Ferenc (1996) Application of complex reaction kinetic models in thermal analysis. The least squares evaluation of series of experiments. JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 47. pp. 535-542. ISSN 1388-6150

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Abstract

The complexity of the phenomena which arise during the heating of the various substances seldom can be described by a single reaction kinetic equation. As a consequence, sophisticated models with several unknown parameters have to be developed. The determination of the unknown parameters and the validation of the models requires the simultaneous evaluation of whole series of experiments. We can accept a model and its parameters if, and only if we get a reasonable fit to several experiments carried out at different experimental conditions. In the field of the thermal analysis the method of least squares alone seldom can select a best model or a best set of parameter values. Nevertheless, the careful evaluation of the experiments may help in the discerning between various chemical or physical assumptions by the quality of the corresponding fit between the experimental and the simulated data. The problem is illustrated by the thermal decomposition of cellulose under various experimental conditions.

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