Nanotech 2002 Vol. 2
Nanotech 2002 Vol. 2
Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology

Materials and Nanostructures Studies Chapter 16

Enhanced Structure at the Interface Between the Polymer Matrix and Spherical Nanoparticles in Polymer Based Nanocomposites

Authors: R.C. Picu and M.S. Ozmusul

Affilation: Rensselaer Polytechnic Institute, United States

Pages: 399 - 402

Keywords: nanocomposites, chain dynamics, bound polymer layer

The effect of a curved solid wall on the conformations of long, flexible polymer chains is studied in a dense polymer system by means of lattice Monte Carlo simulations. The differences with respect to the flat interface case are discussed. In the athermal limit the wall does not perturb the atom number density, which is constant throughout the volume of the polymer, however the chan end density is higher at the wall compared to the bulk and the bonds are preferentially oriented parallel to the interface. The internsity of these effects decreases with increasing wall curvature. These conclusions preserve qualitatively in presence of energetic interactions. The density at the wall decreases and the chaing end segregation increases with increasing wall curvature, which suggests that the experimentally observed reduction in chain mobility with filler radius has, in par, an entropic origin.

ISBN: 0-9708275-6-3
Pages: 504