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Photodegradation of polybenzimidazole/polyvinyl chloride composites and polybenzimidazole: Density functional theory and experimental study
Author(s) -
Jin Dandan,
Khanal Santosh,
Zhang Chao,
Xu Shiai
Publication year - 2021
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.49693
Subject(s) - photodegradation , vinyl chloride , polyvinyl chloride , materials science , composite number , desorption , ultimate tensile strength , composite material , photochemistry , polymer chemistry , polymer , chemical engineering , chemistry , catalysis , copolymer , adsorption , photocatalysis , organic chemistry , engineering
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 ( 3 O 2 ), and photooxidation of PVC is accelerated in the presence of PBI due to the photogeneration of singlet state oxygen ( 1 O 2 ). 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.