期刊
MATERIALS RESEARCH EXPRESS
卷 6, 期 3, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/2053-1591/aaf6d5
关键词
nanocomposite; molecular dynamic; glass transition temperature; gyration radius
In this study, the effect of alumina and modified alumina nanoparticles in a PMMA/alumina nanocomposite was investigated. To attain this goal, the glass transition behavior of poly methyl methacrylate (PMMA), PMMA/alumina and PMMA/functionalized alumina nanocomposites were investigated by molecular dynamic simulations (MD). All the MD simulations were performed using the Materials Studio 6.0 software package of Accelrys. To obtain the glass transition temperature, the variation of density versus temperature was obtained. The temperature at which the slope of the density-temperature curve observably changes is defined as the glass transition temperature (T-g). The effect of alumina nanoparticles on the T-g was related to the free volume and the mobility of chain segments and the interaction between the alumina nanoparticles and the polymer. The mobility of the chain segments was investigated based on the mean square displacement and radius gyration. The results show that the incensement the T-g of the PMMA/functionalized alumina nanocomposite is more than that of the PMMA/alumina nanocomposite due to the modification of the alumina nanoparticles.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据