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