Study of the Glass Transition Temperature of Polymer Surface by Coarse-Grained Molecular Dynamics Simulation
Study of the Glass Transition Temperature of Polymer Surface by Coarse-Grained Molecular Dynamics Simulation
复制标题
DOI：
10.1021/ma052632h
复制
发表时间：
2006-08
期刊：
影响因子：
5.5
通讯作者：
H. Morita;Keiji Tanaka;T. Kajiyama;T. Nishi;M. Doi
中科院分区：
文献类型：
--
作者：
H. Morita;Keiji Tanaka;T. Kajiyama;T. Nishi;M. Doi
通过粗粒分子动力学模拟研究了聚合物薄膜表面的玻璃化转变温度。通过分段运动分析，分别确定了表面区域和本体区域的玻璃化转变温度。发现表面区域的玻璃化转变低于本体区域的玻璃化转变。通过模拟获得的玻璃化转变温度的分子量依赖性与通过扫描力显微测量获得的结果非常吻合。
The glass transition temperature at the surface of polymer film is studied by the coarse-grained molecular dynamics simulation. By the analysis of the segmental motion, the glass transition temperatures at the surface region and that in the bulk region are determined separately. The glass transition at the surface region is found to be lower than that in the bulk region. The molecular weight dependence of the glass transition temperature obtained by the simulation agrees well with that obtained by the scanning force microscopic measurements.