Molecular modeling of particle reinforcement in elastomers: Effect of particle radius and volume fraction

Monte-Carlo simulations of the configurations of polymer chains in reinforced elastomers reveal extensive wrapping of the chains around particle clusters. The resulting increase in chain entanglement density leads to a 3.5 power law dependence of modulus on particle loading, in perfect agreement with experimental observation. Our model also gives a consistent molecular explanation of the Payne effect and the associated energy dissipation in strained reinforced elastomers.