Structure and Conformations of Polymer/SWCNT Nanocomposites
Structure and Conformations of Polymer/SWCNT Nanocomposites
复制标题
DOI：
10.1021/ma201359s
复制
发表时间：
2011-12-27
期刊：
影响因子：
5.5
通讯作者：
Clarke, Nigel
中科院分区：
文献类型：
--
作者：
Karatrantos, Argyrios;Composto, Russell J.;Clarke, Nigel
通过分子动力学模拟研究了单分散聚合物/单壁碳纳米管（SWCNT）纳米复合材料与聚合物熔体的静态性质。SWCNT具有大的纵横比和小于聚合物回转半径的半径。我们发现，虽然局部链结构受到显着影响，整体配置，其特征在于由回转半径，是不扰动的聚合物和单壁碳纳米管之间的相互作用强度或单壁碳纳米管半径的变化。
We investigate the static properties of monodisperse polymer/single wall carbon nanotube (SWCNT) nanocomposites in comparison to polymer melts by molecular dynamics simulations. The SWCNT has a large aspect ratio and radius smaller than the polymer radius of gyration. We find that although the local chain structure is significantly affected, the overall configuration, as characterized by the radius of gyration, is not perturbed either by the interaction strength between the polymer and the SWCNT or by variations in the SWCNT radius.