The Influence of Local Constraints on Solvent Motion in Polymer Materials.

Abstract

The influence of obstacles in the form of polymer chains on the diffusion of a low-molecular-weight solvent was the subject of this research. Studies were performed by computer simulations. A Monte Carlo model-the Dynamic Lattice Liquid algorithm-based on the idea of cooperative movements was used. The tested materials were polymer networks with an ideal structure (with a uniform mesh size) and real, irregular networks (with a non-uniform mesh size) obtained numerically by copolymerization. The diffusion of the solvent was analyzed in systems with a polymer concentration that did not exceed 16%. The influence of the polymer concentration and macromolecular architecture structure on the mobility and character of the motion of the solvent was discussed. The influence of irregular network morphology on solvent dynamics appeared to be significantly stronger than that of regular networks and star-like polymers.