Identification of gamma irradiated polycarbonate-polybutylene terephthalate stiff polymer blend products using HS-GC/MS, FTIR and UV/Vis spectroscopy

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2024-09-03 DOI:10.1016/j.molstruc.2024.139917

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引用次数: 0

Abstract

In this study, the fragmentation products of Makro-blend stiff polymer due to gamma exposure were identified using Head space (HS), Gas Chromatography, and Mass Spectrometry (HS-GC/MS) techniques and Fourier Transform Infra-Red (FTIR) spectroscopy. As well the electronic transitions due to gamma exposure were examined using UV/Vis spectroscopy. For the un-irradiated and 10 kGy irradiated samples, one product was detected by (HS-GC/MS) method with a clear peak of Dimethoxyethane (MW = 90), which has a peak area percentage of 98.58% and 97.13%, respectively. With increasing gamma doses the number of identified components was increased. At 1200 kGy, ten components were detected: Biethylene (MW = 54), Dimethoxyethane (MW = 90), 1,1-Dimethoxy-2-propanone (MW = 118), 1,1-Dimethoxy-2-propanol (MW = 120), 1,1-Dimethoxycyclopentane (MW = 130), 1,1-Dimethoxyheptane (MW = 160), 1,1-Dimethoxyoctane (MW = 174), Dimethyl terephthalate (MW = 194), 4-(Diethoxymethyl) benzaldehyde (MW = 208), and Terephthalate dihexyl (MW = 334), which have peaks area percentages of 4.22, 2.98, 25.84, 2.2, 10.65, 38.86, 1.57, 5.91, 1.22, and 6.48, respectively. The recorded mass spectrum of each component confirms the molecular ion peak. The FTIR measurements demonstrate the decrease in the detected band intensities following gamma radiation. Accordingly, a chain scission occurs, which causes the carbonate bond to scission, resulting in the creation of a hydroxyl group and the (–H) abstraction from the backbone of the irradiation blend samples. The absorbance edge of the gamma-exposed samples shifted towards a higher wavelength. This pattern shows that the band gap energy is declining. The use of FTIR and HS-GC/MS in mass spectrometry analysis will be useful tools for examining radiation-induced polymeric fragments and advancing our understanding of the process underlying the creation of these fragments in polymers.

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利用 HS-GC/MS、傅立叶变换红外光谱和紫外/可见光谱鉴定伽马辐照聚碳酸酯-聚对苯二甲酸丁二醇酯硬质聚合物混合物产品

在这项研究中，使用顶空（HS）、气相色谱法和质谱法（HS-GC/MS）技术以及傅立叶变换红外光谱法（FTIR）确定了 Makro-blend 硬质聚合物在伽马射线照射下的碎裂产物。此外，还使用紫外/可见光谱对伽马射线照射引起的电子跃迁进行了检测。在未经辐照和经过 10 kGy 辐照的样品中，用（HS-GC/MS）方法检测到了一种产物，其明显的峰值为二甲氧基乙烷（MW = 90），峰面积百分比分别为 98.58% 和 97.13%。随着伽马剂量的增加，鉴定出的成分数量也在增加。在 1200 kGy 时，检测到了十种成分：二乙烯（截留分子量＝54）、二甲氧基乙烷（截留分子量＝90）、1,1-二甲氧基-2-丙酮（截留分子量＝118）、1,1-二甲氧基-2-丙醇（截留分子量＝120）、1,1-二甲氧基环戊烷（截留分子量＝130）、1,1-二甲氧基庚烷（截留分子量＝160）、1,1-Dimethoxyoctane (MW = 174)、Dimethyl terephthalate (MW = 194)、4-(Diethoxymethyl) benzaldehyde (MW = 208)和 Terephthalate dihexyl (MW=334)，它们的峰面积百分比分别为 4.22、2.98、25.96、25.96。22、2.98、25.84、2.2、10.65、38.86、1.57、5.91、1.22 和 6.48。记录的各成分质谱证实了分子离子峰。傅立叶变换红外光谱测量结果表明，在伽马射线辐射后，检测到的波段强度有所下降。因此，辐照混合样品发生了链裂，导致碳酸键断裂，产生了羟基，并从骨架中抽取了 (-H)。伽马射线辐照样品的吸光边缘向更高波长移动。这表明带隙能正在下降。在质谱分析中使用傅立叶变换红外光谱和 HS-GC/MS 将成为研究辐照诱导的聚合物碎片的有用工具，并能加深我们对聚合物中这些碎片产生过程的理解。

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.

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