纳米复合体系中环形高分子链的构型  

Conformations of ring polymer chain in nanocomposites

作　　者：宋青亮 王向红[1,2] SONG Qingliang;WANG Xianghong(College of Physics and Electronic Information Engineering,Wenzhou University,Wenzhou 325035,Zhejiang Province,China;Department of Electrical and Electronic Engineering,Wenzhou Vocational&Technical College,Wenzhou 325035,Zhejiang Province,China)

机构地区：[1]温州大学物理与电子信息工程学院,浙江温州325035 [2]温州职业技术学院电气电子工程系,浙江温州325035

出　　处：《浙江大学学报（理学版）》2018年第5期562-568,共7页Journal of Zhejiang University（Science Edition）

基　　金：浙江省自然科学基金资助项目(LZ13F020003);国家自然科学基金资助项目(21674082;21474076;11875205)

摘　　要：采用分子动力学模拟方法对纳米复合体系中环形高分子链的构型及纳米粒子的集聚行为进行了研究.在不同纳米粒子/高分子链吸附能作用下,复合体系中纳米粒子表现出3种集聚行为:直接接触集聚、均匀分散以及高分子与纳米粒子间的桥接集聚.同时考虑了环形高分子链的刚性强度,得到了环形高分子链的3个构型:中间吸附、马鞍型吸附和轨道绕行型吸附.研究发现,增强环形高分子链的刚性将有助于促进纳米复合体系中纳米粒子间的分散.The conformations of ring polymer chain and the aggregation behavior of nanoparticle in nanocomposites are investigated by coarse-grained molecular dynamics.Nanoparticles exhibit three dispersion-aggregation states:contact aggregation,dispersion and tele bridging aggregation,which are consistent with the theoretical results.By altering the stiffness of ring chain,three typical conformations are obtained:middle adsorption,saddle-shaped adsorption and obit-shaped adsorption.The increasing of ring chain stiffness is benefit for the dispersion of nanoparticle in nanocomposites.

关 键 词：分子动力学 环形高分子 构型 分散与集聚 

分 类 号：O561[理学—原子与分子物理]