An innovative method for isothermal and non-isothermal predictions of complex reactions
•Factorizing the reaction rate into rate constant and conversion function.•Accurate isothermal and non-isothermal predictions of complex reactions.•Evaluation of rate constant as a function of conversion and temperature.•Evaluation of pre-exponential factor as a function of conversion and temperatur...
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Veröffentlicht in: | Thermochimica acta 2024-10, Vol.740, p.179839, Article 179839 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | •Factorizing the reaction rate into rate constant and conversion function.•Accurate isothermal and non-isothermal predictions of complex reactions.•Evaluation of rate constant as a function of conversion and temperature.•Evaluation of pre-exponential factor as a function of conversion and temperature.
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In this study, we introduced a novel technique that factorizes the reaction rate of complex reactions into a temperature-dependent rate constant and a conversion function using multiple linear regression on isoconversional kinetic data. In simulated reactions, our method demonstrated higher accuracy compared to model-free approaches. Furthermore, the new method exhibited satisfactory accuracy in non-isothermal predictions of polyethylene thermal decomposition, all without necessitating the computation of Arrhenius parameters. However, the new method enables the assessment of the Arrhenius parameters, the activation energy and pre-exponential factor, in complex reactions as well. The accuracy of this method is confined to the experimentally explored temperature range, necessitating cautious extrapolation for temperatures beyond this interval. |
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ISSN: | 0040-6031 |
DOI: | 10.1016/j.tca.2024.179839 |