Evaluation of model-based pre-exponential factor from differential isoconversional methods

IF 3.1 2区 化学 Q2 CHEMISTRY, ANALYTICAL Thermochimica Acta Pub Date : 2024-06-04 DOI:10.1016/j.tca.2024.179784
Alireza Aghili , Amir Hossein Shabani
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Abstract

This study introduces a model-based technique to evaluate the effective pre-exponential factor, conversion function and rate constant of reactions using differential isoconversional methods. In complex reactions, the effective pre-exponential factor depends on conversion and temperature and can be calculated using the modified Friedman method and compensation effect relationship. The innovative approach facilitates the computation of how pre-exponential factor varies with temperature across diverse heating rates, providing a valuable improvement in isoconversional analysis. The calculations revealed that the effective rate constant might be solely influenced by temperature, irrespective of the degree of conversion. The approach suggested in this research can also be applied in conjunction with the results of the traditional Friedman method. The technique was validated by applying it to kinetic data from various simulated reactions and experimental data on the thermal degradation of polyethylene.

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评估基于模型的差分等转换法预指数因子
本研究介绍了一种基于模型的技术,利用微分等转化法评估反应的有效前指数、转化函数和速率常数。在复杂的反应中,有效预指数取决于转换和温度,可以使用修正的弗里德曼法和补偿效应关系来计算。这种创新方法有助于计算不同加热速率下预指数随温度的变化情况,为等转换分析提供了宝贵的改进。计算结果表明,无论转化程度如何,有效速率常数可能只受温度影响。这项研究提出的方法还可以与传统的弗里德曼方法的结果结合使用。通过将该技术应用于各种模拟反应的动力学数据和聚乙烯热降解的实验数据,对其进行了验证。
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来源期刊
Thermochimica Acta
Thermochimica Acta 化学-分析化学
CiteScore
6.50
自引率
8.60%
发文量
210
审稿时长
40 days
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
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