使用周期性 sinc 函数插值法评估热重分析数据的反应速率

IF 1.5 4区 化学 Q4 CHEMISTRY, PHYSICAL International Journal of Chemical Kinetics Pub Date : 2024-04-08 DOI:10.1002/kin.21724
Alireza Aghili, Amir Hossein Shabani
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引用次数: 0

摘要

周期 sinc 函数插值法为解决热重分析 (TGA) 数据分析中的噪声问题提供了一个令人信服的解决方案,从而提高了弗里德曼等转换法等微分技术的成果。在本研究中,我们引入了一种新方法,利用周期性 sinc 函数插值法直接从 TGA 数据中获得平稳的反应速率,从而消除了对数值微分方法的依赖。通过将这种方法应用于各种聚合物热分解产生的噪声实验数据,证实了它的有效性,展示了它的稳健性。为读者提供了 Gnu Octave 的相应代码,作为 MATLAB 的免费替代工具。此外,使用弗里德曼方法和周期性 sinc 函数插值法从实验数据中计算出的活化能与维亚佐夫金积分法确定的活化能非常接近,这强调了这种新方法的有效性和可靠性。
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Evaluation of reaction rate of thermogravimetric analysis data using periodic sinc function interpolation

The periodic sinc function interpolation offers a compelling solution to address the issue of noise in the analysis of thermogravimetric analysis (TGA) data, thereby enhancing the outcomes of differential techniques such as the Friedman isoconversional method. In this study, we introduce a novel approach that leverages the periodic sinc function interpolation to directly obtain smooth reaction rates from TGA data, eliminating the reliance on numerical differentiation methods. The efficacy of this method has been confirmed through its application to noisy experimental data derived from the thermal decomposition of various polymers, showcasing its robustness. Readers are provided with the corresponding code for Gnu Octave, serving as a free alternative to MATLAB. Additionally, the activation energies calculated from the experimental data using both the Friedman method and periodic sinc function interpolation closely align with those determined by the integral Vyazovkin method, emphasizing the validity and reliability of this new approach.

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来源期刊
CiteScore
3.30
自引率
6.70%
发文量
74
审稿时长
3 months
期刊介绍: As the leading archival journal devoted exclusively to chemical kinetics, the International Journal of Chemical Kinetics publishes original research in gas phase, condensed phase, and polymer reaction kinetics, as well as biochemical and surface kinetics. The Journal seeks to be the primary archive for careful experimental measurements of reaction kinetics, in both simple and complex systems. The Journal also presents new developments in applied theoretical kinetics and publishes large kinetic models, and the algorithms and estimates used in these models. These include methods for handling the large reaction networks important in biochemistry, catalysis, and free radical chemistry. In addition, the Journal explores such topics as the quantitative relationships between molecular structure and chemical reactivity, organic/inorganic chemistry and reaction mechanisms, and the reactive chemistry at interfaces.
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