OICC Press International Nano Letters 2228-5326 4 3 (September 2014) 2014 07 25 A molecular dynamics simulation to investigate the thermal properties of SWCNT/poly(phenylenesulfone) nanocomposites 10.1007/s40089-014-0112-9 EN Siavash Taheri Department of Science and Engineering, Abhar Branch, Islamic Azad University, Abhar, IR Muhammad Shadman Department of Chemistry, Faculty of Science, University of Zanjan, Zanjan, IR Zohreh Ahadi Department of Science and Engineering, Abhar Branch, Islamic Azad University, Abhar, IR Farid Asgari Department of Science and Engineering, Abhar Branch, Islamic Azad University, Abhar, IR Hossein Mighani Department of Chemistry, Golestan University, Gorgan, IR Journal Article 2014 07 25 Abstract 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.