Molecular-level investigation of plasticization of polyethylene terephthalate (PET) in supercritical carbon dioxide via molecular dynamics simulation

Molecular-level investigation of plasticization of polyethylene terephthalate (PET) in supercritical carbon dioxide via molecular dynamics simulation

The current study aims to use the molecular dynamics (MD) simulation method to discuss the glass transition behaviour and fractional free volume (FFV) of the pure polyethylene terephthalate (PET) and the plasticized PET induced by supercritical carbon dioxide (SC-CO2) sorption. The adsorption concen...

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Bibliographic Details
Main Authors: Fayu Sun, Hu Dedong, Li Fei, Wang Weiqiang, Gao Zhaotao, Zhang Zhuo
Format: Article
Language:English
Published: The Royal Society 2022-08-01
Series:Royal Society Open Science
Subjects:
molecular simulation
polyethylene terephthalate
plasticization
glass transition temperature
supercritical carbon dioxide
Online Access:https://royalsocietypublishing.org/doi/10.1098/rsos.220606

Internet

https://royalsocietypublishing.org/doi/10.1098/rsos.220606

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