Conformation and Dynamics of Ring Polymer Chains under Cylindrical Confinement

XY Han and XL Zhou and XH Wang and LL He, MACROMOLECULAR CHEMISTRY AND PHYSICS, 224 (2023).

DOI: 10.1002/macp.202300131

Using coarse-grained molecular dynamics simulations, the conformation and dynamic behavior of ring polymer chains in ring/linear blends confined into cylinders are studied. By changing the particle number density, polymer chain bending energy and length, the spatial distribution of rings in the constrained binary polymer blends is investigated. An ordered tubular structure composed of several quasi- parallel rings is observed. The mean square displacement of the center- of-mass of ring chains and its diffusion coefficient are analyzed. The results indicate that the diffusion behavior of rings is transformed from inhibition to promotion as the increase of linear chain bending energy. This study provides a new way to further understand the special conformation and dynamic behavior of ring polymer chains in constrained systems.

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