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高分辨率热重-飞行时间质谱联用主成分分析和肯德里克质量亏损分析:阐明玻璃纤维增强聚丙烯在热氧化降解过程中的分子尺度降解行为

High-Resolution TG-TOFMS Coupled with Principal Component Analysis and Kendrick Mass Defect Analysis: Elucidation of Molecular-Scale Degradation Behavior of Glass Fiber Reinforced Polypropylene during Thermo-Oxidative Degradation.

作者信息

Ozawa Taiki, Nakamura Sayaka, Sato Hiroaki, Shinzawa Hideyuki, Hagihara Hideaki, Watanabe Ryota

机构信息

Research Institute for Sustainable Chemistry, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8565, Japan.

出版信息

Anal Chem. 2025 Jan 28;97(3):1665-1672. doi: 10.1021/acs.analchem.4c04630. Epub 2025 Jan 13.

Abstract

This study presents a novel approach that combines thermogravimetric analysis with time-of-flight mass spectrometry (TG-TOFMS), principal component analysis (PCA), and Kendrick mass defect (KMD) analysis─referred to as TG-PCA-KMD─to investigate molecular-scale structural changes and quantitatively assess the progression of thermo-oxidative degradation in glass fiber reinforced polypropylene (GF/PP). TG-TOFMS enables the simultaneous and sensitive detection of both structural changes due to thermo-oxidative degradation and compositional changes in the filler and matrix. PCA and KMD analysis are crucial for identifying specific ion series derived from the degraded PP matrix in the high-resolution mass spectra obtained through TG-TOFMS. Additionally, PCA fitting was employed to selectively extract information on the degraded components of GF/PP from differential thermogravimetric profiles. Our findings demonstrate the advantages and utility of TG-PCA-KMD in the degradation analysis of composite materials.

摘要

本研究提出了一种将热重分析与飞行时间质谱(TG-TOFMS)、主成分分析(PCA)和肯德里克质量亏损(KMD)分析相结合的新方法(称为TG-PCA-KMD),以研究玻璃纤维增强聚丙烯(GF/PP)中分子尺度的结构变化,并定量评估热氧化降解的进程。TG-TOFMS能够同时且灵敏地检测热氧化降解引起的结构变化以及填料和基体中的成分变化。PCA和KMD分析对于在通过TG-TOFMS获得的高分辨率质谱中识别源自降解PP基体的特定离子系列至关重要。此外,采用PCA拟合从差示热重曲线中选择性提取GF/PP降解成分的信息。我们的研究结果证明了TG-PCA-KMD在复合材料降解分析中的优势和实用性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f498/11780572/512c723f4070/ac4c04630_0001.jpg

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