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

• المؤلفون الرئيسيون: Berthet J.-C., Saelee C., Liang T., Nicholson T.M., Davies G.R.
• التنسيق: مقال
• اللغة: English
• منشور في: 2014
• الوصول للمادة أونلاين: http://www.scopus.com/inward/record.url?eid=2-s2.0-33845269349&partnerID=40&md5=63ce277d7b8f6a27dce7a34e57912ba0; http://cmuir.cmu.ac.th/handle/6653943832/5057

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...