Monte Carlo Simulations on Nanoparticles in Elastomers. Effects of the Particles on the Dimensions of the Polymer Chains and the Mechanical Properties of the Networks

Summary: Reinforcement of elastomers is modeled using Monte Carlo simulations on rotational isomeric state chains, to characterize their spatial configurations in the vicinity of filler particles. The resulting filler‐perturbed distributions of the chain end‐to‐end distances are in agreement with experimental results gotten by neutron scattering. The use of these distributions in a standard molecular theory of rubberlike elasticity produces stress‐strain isotherms for elongation that are consistent with available experimental results.