Theoretical Interpretation of Conformation Variations of Polydimethylsiloxane Induced by Nanoparticles

Abstract

There has been controversy as to whether the addition of nanoparticles to a polymer melt causes perturbed chain structure of polymers. In this work, the chain conformations of polydimethylsiloxane (PDMS) with addition of polyhedral oligomeric silsesquioxane (POSS) nanoparticles have been studied using a classical density functional approach. Under the strong interactions of POSS-PDMS, the radius of gyration of PDMS in the nanocomposites can either increase or decline depending on particle loading. After adding nanoparticles with larger size or weaker interactions, both the increasing and the declining amplitudes can be largely suppressed. The results provide a deep understanding of chain conformation in polymer nanocomposites.