环氧树脂降解的原位傅立叶变换红外光谱:动力学和机理。

IF 3.8 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Frontiers in Chemistry Pub Date : 2024-10-30 eCollection Date: 2024-01-01 DOI:10.3389/fchem.2024.1476965
Marianna Pannico, Giuseppe Mensitieri, Pellegrino Musto
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引用次数: 0

摘要

我们报告了对柔性环氧树脂热氧化降解的原位傅立叶变换红外研究。我们采用了不同的互补方法来分析光谱数据,从动力学和机理方面详细描述了降解过程。基于 DFT 方法的初步正坐标分析可以对观察到的光谱进行可靠的解释,从而增加可用的结构信息量。二维相关光谱提供了反应网络结构演变的详细信息。对各种官能团的相对稳定性进行了排序,并确定了最可能的起始点。氧固定在网络链上产生了酰胺和酮基,后者的发展速度较快。我们用一阶双指数模型精确地模拟了各种官能团的动力学曲线,从而对它们的相对稳定性进行了定量比较。通过光谱分析,我们提出了可能的机理,并确定了优先发生的机理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
In-situ FTIR spectroscopy of epoxy resin degradation: kinetics and mechanisms.

We report on an in situ FTIR study of the thermo-oxidative degradation of a flexible epoxy resin. Different and complementary approaches to the analysis of the spectral data were employed, providing a detailed description of the process in terms of kinetics and mechanisms. A preliminary normal coordinate analysis, based on the DFT method, allowed for a reliable interpretation of the observed spectrum, increasing the amount of available structural information. Two-dimensional correlation spectroscopy provided details on the evolution of the reacting network structure. The relative stability of the various functional groups was ranked, and the most likely sites of initiation were identified. Oxygen fixation on the network chains produced amide and ketone groups, with the latter developing at a higher rate. The kinetic profiles of various functional groups were accurately simulated by a first-order, biexponential model, which allowed a quantitative comparison among their relative stabilities. The spectroscopic analysis allowed us to propose likely mechanisms and to identify those that occur preferentially.

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来源期刊
Frontiers in Chemistry
Frontiers in Chemistry Chemistry-General Chemistry
CiteScore
8.50
自引率
3.60%
发文量
1540
审稿时长
12 weeks
期刊介绍: Frontiers in Chemistry is a high visiblity and quality journal, publishing rigorously peer-reviewed research across the chemical sciences. Field Chief Editor Steve Suib at the University of Connecticut is supported by an outstanding Editorial Board of international researchers. This multidisciplinary open-access journal is at the forefront of disseminating and communicating scientific knowledge and impactful discoveries to academics, industry leaders and the public worldwide. Chemistry is a branch of science that is linked to all other main fields of research. The omnipresence of Chemistry is apparent in our everyday lives from the electronic devices that we all use to communicate, to foods we eat, to our health and well-being, to the different forms of energy that we use. While there are many subtopics and specialties of Chemistry, the fundamental link in all these areas is how atoms, ions, and molecules come together and come apart in what some have come to call the “dance of life”. All specialty sections of Frontiers in Chemistry are open-access with the goal of publishing outstanding research publications, review articles, commentaries, and ideas about various aspects of Chemistry. The past forms of publication often have specific subdisciplines, most commonly of analytical, inorganic, organic and physical chemistries, but these days those lines and boxes are quite blurry and the silos of those disciplines appear to be eroding. Chemistry is important to both fundamental and applied areas of research and manufacturing, and indeed the outlines of academic versus industrial research are also often artificial. Collaborative research across all specialty areas of Chemistry is highly encouraged and supported as we move forward. These are exciting times and the field of Chemistry is an important and significant contributor to our collective knowledge.
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