对弗里德曼和奥尔特加等转换法进行修改,以评估活化能与转换率和温度的关系

IF 3.1 2区 化学 Q2 CHEMISTRY, ANALYTICAL Thermochimica Acta Pub Date : 2024-04-15 DOI:10.1016/j.tca.2024.179748
Alireza Aghili , Amir Hossein Shabani
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引用次数: 0

摘要

弗里德曼和奥尔特加等转化法通常对等转化动力学数据进行线性回归,以计算活化能是否仅是转化程度的函数。然而,在复杂的反应中,活化能同时取决于转化率和温度。我们的修改涉及二次曲线拟合,而不是线性回归,从而确定活化能是转化率和温度的函数。这项新技术能够计算不同加热速率下活化能的温度依赖性,是等转化分析的重要补充。对聚乙烯热降解的等转化动力学数据采用了传统方法和改进方法。在使用非线性回归时,结果更详细地反映了活化能的变化。
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A modification to the Friedman and Ortega isoconversional methods for evaluation of the activation energy as a function of conversion and temperature

The Friedman and Ortega isoconversional methods typically apply linear regression to the isoconversional kinetic data for calculation of activation energy solely as a function of extent of conversion. However, in complex reactions, activation energy depends on both conversion and temperature. Our modification involves quadratic curve fitting instead of linear regression, resulting in the determination of activation energy as a function of conversion and temperature. The new technique enables the calculation of the temperature dependence of activation energy for different heating rates, making it a valuable addition to isoconversional analysis. The conventional and modified approaches were utilized on the isoconversional kinetic data concerning polyethylene thermal degradation. The results provided a more detailed representation of the variations in activation energy when nonlinear regression was used.

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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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