Single-Chain Slip-Spring Simulation for Entangled Nonconcatenated Ring Polymer Melts

Abstract

We propose a single-chain slip-spring (SCSS) model for entangled melts of nonconcatenated ring polymers. The compact conformations of nonconcatenated ring polymers are reproduced by intrachain harmonic potentials between segments anchored by slip-springs. The slip-spring migrates locally along the chain contour as it does in linear polymers, but disengages from segments based on a lifetime governed by a power-law distribution. A key assumption in our model is that this power-law distribution reflects the statistical behavior of inter-ring threading identified as the slip-spring. Our model successfully reproduces the stress relaxation, segmental motion, and chain-length dependence of zero-shear viscosity and diffusion coefficient, consistent with findings from previous theoretical, simulation, and experimental studies.