Measurements of THz absorption peaks in photo-degraded polyethylene and their assignment by quantum chemical calculations

M. Hosobuchi, M. Komatsu, X. Xie, Y. Cheng, Y. Furukawa, Y. Ohki, M. Mizuno, K. Fukunaga
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引用次数: 3

Abstract

Electrical insulation properties of low density polyethylene (LDPE) are still unclear, especially when it is degraded. In this regard, ultraviolet (UV) photons were irradiated to LDPE sheets at room temperature and 85 °C and their absorption spectra were measured at frequencies from 0.5 to 3.0 THz and from 18 to 105 THz. A very broad absorption band with its peak at around 1.6 THz appears by the UV irradiation. In accord with this appearance, the infrared absorption peak due to a carbonyl structure increases. Quantum chemical calculations were carried out using 3-dimensional models with and without carbonyl groups. As a result, the model with carbonyl groups was found to have optically active modes at about 1.7 THz. From these results, the increase in absorption at 1.6 THz is assumed to be induced by oxidation.
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光降解聚乙烯中太赫兹吸收峰的测量及其量子化学计算分配
低密度聚乙烯(LDPE)的电绝缘性能仍不清楚,特别是当它被降解时。为此,在室温和85℃下,将紫外光子照射到LDPE片材上,并在0.5 ~ 3.0 THz和18 ~ 105 THz频率范围内测量其吸收光谱。紫外辐射产生非常宽的吸收带,峰值在1.6太赫兹左右。与这种现象一致,由于羰基结构,红外吸收峰增加。量子化学计算使用三维模型进行,有或没有羰基。结果发现,含羰基的模型在约1.7太赫兹处具有光学活性模式。根据这些结果,1.6太赫兹处的吸收增加被认为是由氧化引起的。
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