Alireza Aghili , Amir Hossein Shabani , Vahid Arabli
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An innovative method for isothermal and non-isothermal predictions of complex reactions
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.
期刊介绍:
Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application.
The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta.
The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas:
- New and improved instrumentation and methods
- Thermal properties and behavior of materials
- Kinetics of thermally stimulated processes