Multichain Slip-Spring Simulations for Branch Polymers

Abstract

Although the tube models have attained remarkable success, development of a simulation method for entangled branch polymer dynamics is still a challenge. In this study, the multichain slip-spring model has been examined to branch polymers for the first time. In the model, the bead–spring chains are dispersed in the simulation box, and the entanglement is mimicked by the virtual spring, so-called slip-spring, which connects the chains and hops along the chain. The slip-springs are created and destructed only at the chain ends. Besides, for the relaxation of entanglements formed between the backbone chains in the branch polymers, the hopping of the slip-spring across the branch point (SHAB) is additionally allowed when the branching arm relaxes. The simulation results for symmetric and asymmetric star and H branch polymers are in semiquantitative agreement with experimental and earlier simulation data extracted from the literature. Although the proposed simulation is compatible with the data for scarcely en...