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

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...

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