Molecular dynamics simulation of a linear soft polymer was performed and the free volume properties of the system were analyzed in terms of the Voronoi polyhedra of the monomers. It was observed that only small density fluctuations are present in the system. The local environment of the monomers was found to be rather spherical, when compared with liquids of atoms or small molecules. It was also found that the monomers are coordinated by their nearest geometric neighbors, including intra-chain and inter-chain ones.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry