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On the diffusivity of ring polymers

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Abstract

A free volume theory of linear polyethylene (PE) melts [Soft Matter, 2019, 15, 9300–9309] was used to describe the crossover in the size dependence of the center-of-mass diffusion coefficients of ring PE melts from DcmN−1.03±0.15 to DcmN−1.88±0.14 at Nc ≈ 100. Parameters in the theory were determined theoretically by either the polymer reference interaction site model (PRISM) theory or molecular dynamics (MD) simulation data. The former method is computationally less expensive, whereas the latter gives more accurate results in calculating the temperature dependence of Dcm as different intermolecular and intramolecular potentials were explicitly included in the equation of motion. Both approaches were able to describe the dynamics below and above the crossover in the size dependence of Dcm.

Graphical abstract: On the diffusivity of ring polymers

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Article information


Submitted
19 Nov 2019
Accepted
31 Jan 2020
First published
04 Feb 2020

Soft Matter, 2020, Advance Article
Article type
Paper

On the diffusivity of ring polymers

C. P. J. Wong and P. Choi, Soft Matter, 2020, Advance Article , DOI: 10.1039/C9SM02275A

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