Molecular Dynamics Simulation and Structure Changes of Polyester in Water and Non-Aqueous Solvents

Molecular Dynamics Simulation and Structure Changes of Polyester in Water and Non-Aqueous Solvents

Studying the changes in the microstructure of polyester (PET) in water and non-aqueous solvents is important to understand the swelling mechanism of PET, which can help to reduce water pollution during the dyeing process. This study uses molecular models of PET, water, and decamethyl-cyclopentasilox...

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Bibliographic Details
Main Authors: Jin Zheng, Dongshuang Wang, Qi Zhang, Meng Song, Mingli Jiao, Zhicheng Zhang
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Materials
Subjects:
polyester
non-aqueous solvent
free volume
molecular dynamics
Online Access:https://www.mdpi.com/1996-1944/15/6/2148

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