Diffusion of Oligomeric Penetrants in Rubbery Polymer Matrixes - A Study of Simulation of Molecular Dynamics

Molecular dynamics(MD) calculations are performed to simulate the diffusion of oligomers (from monomer to decamer) of methyl methacrylate(MMA) in polyMMA matrix with a high molecular weight. The calculated diffusion coefficient constants are in the same trend as the experimental data with the degree of polymerization increasing. It is found that the diffusion coefficients of oligomers decrease rapidly from monomer to trimer and then keep nearly to be constant from tetramer to decamer as the degree of polymerization increases.