{"title":"Evaluation of model-based pre-exponential factor from differential isoconversional methods","authors":"Alireza Aghili , Amir Hossein Shabani","doi":"10.1016/j.tca.2024.179784","DOIUrl":null,"url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":23058,"journal":{"name":"Thermochimica Acta","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Thermochimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0040603124001230","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
引用次数: 0
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.
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