Molecular Dynamics Simulation Study on the Carbon Nanotube Interacting with a Polymer

被引：11

作者：

Saha, Leton C. ^{[1
]}

Mian, Shabeer A. ^{[1
]}

Jang, Joonkyung ^{[1
]}

机构：

[1] Pusan Natl Univ, Dept Nanomat Engn, Miryang 627706, South Korea

来源：

BULLETIN OF THE KOREAN CHEMICAL SOCIETY | 2012年 / 33卷 / 03期

关键词：

Carbon nanotube; Polymer; Molecular dynamics simulation; Deformation; Binding energy; NONCOVALENT; COMPOSITES; DISPERSION; FORCE; CONFORMATION; DEFORMATION; INTERFACE;

D O I：

10.5012/bkcs.2012.33.3.893

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Using molecular dynamics simulation method, we studied the carbon nanotube (CNT) non-covalently interacting with a polymer. As the polymer coiled around the CNT, the diameter of CNT deformed by more than 40% of its original value within 50 Ps. By considering three different polymers, we conclude that the interaction between the CNT and polymer is governed by the number of repeating units in the polymer, riot by the molecular weight of polymer.

引用

页码：893 / 896

页数：4

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