Application of molecular simulation in bisphenol-A-aniline-based benzoxazine
Compared to the linear polymer,the structure of bisphenol-A-aniline-based benzoxazine resin is much more complex,which causes great trouble to the structure characterization by experiment.So,it is more available to study crosslinked bisphenol-A-aniline-based benzoxazine by molecular simulation method.This report afford a method of constructing complicated polymer network to build different crosslinked density bisphenol-A-aniline-based benzoxazine crosslinked systems in Materials Studio 4.0 software.It could not only investigate influence of crosslinked density to glass transition temperature and mechanics constant,but also explain the reason from polymer accumulated structure and mean square displacement.Furthermore,in order to better verify availability of the modle,we have done a curing experiment.We chose several different curing rate samples,which matched the modles of molecular simulation.It was glad to find the experimental result and simulation result agree well.It turns out that with the increase of crosslinked density,the system accumulates more tightly.So,the motion ability of chain segment becomes worse,which leads to higher glass transition temperature and modulus.
bisphenol-A-aniline-based benzoxazine computerial simulation crosslinked density glass transition temperature curing
Qian-Hao Zhou Yi Gu
State key laboratory of polymer material and engineering,College of polymer science and engineering, Sichuan University Chengdu, 610065, CHINA
国际会议
南京
英文
70-74
2012-05-13（万方平台首次上网日期，不代表论文的发表时间）