An innovative method for isothermal and non-isothermal predictions of complex reactions

被引:1
|
作者
Aghili, Alireza [1 ]
Shabani, Amir Hossein [2 ]
Arabli, Vahid [1 ]
机构
[1] Islamic Azad Univ, Dept Polymer Engn, Shiraz Branch, Shiraz 7198774731, Iran
[2] Shiraz Univ, Dept Comp Sci Engn & Informat Technol, Shiraz 7194684334, Iran
关键词
Isothermal predictions; Non-isothermal predictions; Complex reactions; Rate constant; Conversion function; Pre-exponential factor; KINETIC-ANALYSIS; MODEL-FREE; CONVERSION; TIME;
D O I
10.1016/j.tca.2024.179839
中图分类号
O414.1 [热力学];
学科分类号
摘要
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 preexponential 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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页数:9
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