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 temperature. 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.
Authors
- Alireza Aghili (ORCID: https://orcid.org/0000-0002-9997-1549)
- Vahid Arabli (ORCID: https://orcid.org/0000-0001-5253-9268)
- Amir Hossein Shabani (ORCID: https://orcid.org/0009-0001-9437-0007)
Institutions
- Shiraz University (IR)
- Islamic Azad University of Shiraz (IR)
Publication Details
- Journal
- Thermochimica Acta
- Published
- 2024-08-05
- DOI
- https://doi.org/10.1016/j.tca.2024.179839
- Citations
- 6
- Primary Topic
- Thermal and Kinetic Analysis
- Type
- article
- Field-Weighted Citation Impact
- 0.70