Photodegradation of polybenzimidazole/polyvinyl chloride composites and polybenzimidazole: Density functional theory and experimental study,Journal of Applied Polymer Science

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Photodegradation of polybenzimidazole/polyvinyl chloride composites and polybenzimidazole: Density functional theory and experimental study
Journal of Applied Polymer Science ( IF 2.7 ) Pub Date : 2020-08-03 , DOI: 10.1002/app.49693
Dandan Jin ₁ , Santosh Khanal ₁ , Chao Zhang ₂ , Shiai Xu _{1,

2}

Affiliation

In this study, density functional theory (DFT) and experimental study were conducted to investigate the photodegradation of PVC composites. The results indicate that chain crosslinking, chain scission, dehydrochlorination, and photooxidation are suppressed, while the tensile strength retention of PVC composite reaches a maximum with the incorporation of polybenzimidazole (PBI) and polyacrylic acid modified carbon black. The allyl group can obviously reduce Gibb's free energy (∆G) of PVC in attack by triplet state oxygen (³O₂), and photooxidation of PVC is accelerated in the presence of PBI due to the photogeneration of singlet state oxygen (¹O₂). Photodegradation of PBI was also studied by UV–vis spectroscopy and matrix‐assisted laser desorption ionization time‐of‐flight mass spectroscopy, while the possible photodegradation pathways of PBI were proposed. The disappearance of UV‐absorption of PBI in PVC matrix after 600 h UV‐weathering is probably related to the byproducts and molecular properties.

中文翻译：

聚苯并咪唑/聚氯乙烯复合材料和聚苯并咪唑的光降解：密度泛函理论和实验研究

在这项研究中，进行了密度泛函理论（DFT）和实验研究，以研究PVC复合材料的光降解性能。结果表明，聚苯并咪唑（PBI）和聚丙烯酸改性炭黑的加入可抑制链交联，断链，脱氯化氢和光氧化作用，而PVC复合材料的拉伸强度保持率达到最大值。烯丙基可明显降低三重态氧（³ O ₂）侵蚀PVC的Gibb自由能（∆ G），并且由于单重态氧（¹ O ₂）的光生化，在PBI存在下，PVC的光氧化作用得以加速。）。还通过紫外可见光谱和基质辅助激光解吸电离飞行时间质谱研究了PBI的光降解，同时提出了PBI可能的光降解途径。600小时紫外线风化后，PVC基质中PBI的紫外线吸收消失可能与副产物和分子特性有关。

更新日期：2020-10-08

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