A molecular dynamics simulation to investigate the thermal properties of SWCNT/poly(phenylenesulfone) nanocomposites

被引：0
|
作者：
Siavash Taheri
Muhammad Shadman
Zohreh Ahadi
Farid Asgari
Hossein Mighani
机构：
[1] Islamic Azad University,Department of Science and Engineering, Abhar Branch
[2] University of Zanjan,Department of Chemistry, Faculty of Science
[3] Golestan University,Department of Chemistry
来源：
International Nano Letters | 2014年 / 4卷 / 3期
关键词：
Nanocomposites; Carbon nanotube; Molecular dynamics; Phenylenesulfone; Cohesive energy density;
D O I：
10.1007/s40089-014-0112-9
中图分类号：
学科分类号：
摘要：
An equilibrium molecular dynamics simulation is applied to investigate the thermal properties of a single-walled carbon nanotube/poly(phenylenesulfone) as nanocomposite material. Cohesive energy density and the Hildebrand solubility parameter of pure poly(phenylenesulfone) and nanocomposite are calculated to compare the thermal analysis of them. The results indicate that carbon nanotube/poly(phenylenesulfone) nanocomposites are thermally stable than pure poly(phenylenesulfone); however, poly(phenylenesulfone) is a thermally stable polymer. This means carbon nanotube can further improve thermal properties of thermally stable polymer.
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