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Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data

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Abstract

Based on theoretically simulated sets of kinetic data, the performance of the linear, cubic spline, and Bezier interpolations was tested for single-process kinetic peaks exhibiting different asymmetries. The quality of the approximation of the true thermokinetic background was compared to the (correct) tangential area-proportional interpolation. The Bezier interpolation exhibited the best performance (closest to the tangential area-proportional one); the linear and cubic spline interpolations resulted in a roughly similar level of data distortions. In general, the higher the absolute value of peak asymmetry, the larger the distortions associated with usage of the mathematic interpolations. The most influenced kinetic results were found to be the integrated area of the peak and the actual shape of the peak (being reflected in the kinetic model parameters determined via the model-based kinetic analysis of the data). On the other hand, the model-free kinetic results were found to be in most cases markedly robust with respect to the distortions of the kinetic data associated with the usage of inaccurate interpolations. In particular, the peak-maximum-based methods for evaluation of the apparent activation energy of the process performed extremely well in all cases.

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Acknowledgements

This work has been supported by the Czech Science Foundation under Project No. 17-11753S.

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  1. Department of Physical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentska 573, 532 10, Pardubice, Czech Republic

    Roman Svoboda

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  1. Roman Svoboda
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Correspondence to Roman Svoboda.

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Svoboda, R. Importance of proper baseline identification for the subsequent kinetic analysis of derivative kinetic data. J Therm Anal Calorim 131, 1889–1897 (2018). https://doi.org/10.1007/s10973-017-6673-x

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  • DOI: https://doi.org/10.1007/s10973-017-6673-x

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