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

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.

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Publication Details

Journal
Macromolecules
Published
2025-02-03
DOI
https://doi.org/10.1021/acs.macromol.4c02237
Citations
3
Primary Topic
Rheology and Fluid Dynamics Studies
Type
article
Field-Weighted Citation Impact
2.16

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article

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

Takahiro Murashima, Toshihiro Kawakatsu, Yoshinori Tomiyoshi
3 citations
Macromolecules
Rheology and Fluid Dynamics Studies
2.16
article

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

Takahiro Murashima, Toshihiro Kawakatsu, Yoshinori Tomiyoshi
article en
3 citations

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.

MacromoleculesVol. 58(4)
Tohoku University (JP), Ochanomizu University (JP)
Core Research for Evolutional Science and Technology
Openalex Percentile: Top 15%
Rheology and Fluid Dynamics Studies
2.16
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Single-Chain Slip-Spring Simulation for Entangled Nonconcatenated Ring Polymer Melts — Takahiro Murashima, Toshihiro Kawakatsu, et al. · Macromolecules (2025) | TGRS Research Map | TGRS