Photodegradation of polybenzimidazole/polyvinyl chloride composites and polybenzimidazole: Density functional theory and experimental study

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 PV...

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Bibliographic Details
Published in:Journal of applied polymer science 2021-01, Vol.138 (3), p.n/a
Main Authors: Jin, Dandan, Khanal, Santosh, Zhang, Chao, Xu, Shiai
Format: Article
Language:English
Subjects:
Atomic energy levels
Carbon black
Chain scission
Chains
Composite materials
Crosslinking
Dehydrochlorination
Density functional theory
Free energy
Materials science
Photodegradation
Photooxidation
Polyacrylic acid
Polybenzimidazoles
Polymers
Polyvinyl chloride
Spectrum analysis
Tensile strength
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Summary: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.
ISSN:0021-8995
1097-4628
DOI:10.1002/app.49693