Simulation of glassy state relaxations in polymers: A static analysis of methyl group and methoxy group rotation in poly(vinyl methyl ether)

• Main Authors: Jean Claude Berthet, Cherdsak Saelee, Taining Liang, Timothy M. Nicholson, Geoffrey R. Davies
• Format: Journal
• Published: 2018
• Subjects: Chemistry; Materials Science
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=33845269349&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/61567
• Institution: Chiang Mai University

We show that the simple quasi-static technique, also called the adiabatic mapping technique, can be used to determine the energetics of rotation of methyl and methoxy groups in amorphous poly(vinyl methyl ether) even though the latter process is too slow to be amenable to direct molecular dynamics s...