Size and Dynamics of Ring Polymers under Different Topological Constraints

Jiang-Yang Mo; Zhen-Hua Wang; Yu-Yuan Lu; Li-Jia An

doi:10.1007/s10118-022-2743-z

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Size and Dynamics of Ring Polymers under Different Topological Constraints

RESEARCH ARTICLE | Updated：2023-03-07

- Size and Dynamics of Ring Polymers under Different Topological Constraints
- Size and Dynamics of Ring Polymers under Different Topological Constraints
- 高分子科学（英文版） 2023年41卷第4期页码：516-524
- Affiliations：
  
  a.State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  b.University of Science and Technology of China, Hefei 230026, China
- Author bio：
  
  yylu@ciac.ac.cn
- Funds：
  
  This work was financially supported by the National Key R&D Program of China (No. 2020YFA0713601), the National Natural Science Foundation of China (Nos. 21790340 and 22073092), and the Programs of Chinese Academy of Sciences (No. QYZDY-SSW-SLH027).;Electronic supplementary information (ESI) is available free of charge in the online version of this article at http://doi.org/10.1007/s10118-022-2743-z.
- DOI：10.1007/s10118-022-2743-z
  中图分类号：
- 收稿：2022-02-24，
  
  修回：2022-3-23，
  
  录用：2022-3-26，
  
  网络首发：2022-06-20，
  
  纸质出版：2023-04-01
- Accepted：
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Mo, J. Y.; Wang, Z. H.; Lu, Y. Y.; An, L. J. Size and dynamics of ring polymers under different topological constraints. Chinese J. Polym. Sci. 2023, 41, 516–524

Jiang-Yang Mo, Zhen-Hua Wang, Yu-Yuan Lu, et al. Size and Dynamics of Ring Polymers under Different Topological Constraints[J]. Chinese Journal of Polymer Science, 2023, 41(4): 516-524.
Mo, J. Y.; Wang, Z. H.; Lu, Y. Y.; An, L. J. Size and dynamics of ring polymers under different topological constraints. Chinese J. Polym. Sci. 2023, 41, 516–524 DOI： 10.1007/s10118-022-2743-z.

Jiang-Yang Mo, Zhen-Hua Wang, Yu-Yuan Lu, et al. Size and Dynamics of Ring Polymers under Different Topological Constraints[J]. Chinese Journal of Polymer Science, 2023, 41(4): 516-524. DOI： 10.1007/s10118-022-2743-z.

摘要

It is inappropriate to treat the unknotting constraint free energy of the ring chains in the melts as the free energy contributed by the excluded volume interactions of polymers in a good solvent. And the intrachain constraints have little influence on the scaling relationship between self-diffusion coefficient and chain length.

Abstract

The impact of ring polymer length

and the influence of interchain and intrachain interactions on the size and dynamic behaviors of ring polymers

including the structural relaxation time

and self-diffusion coefficient

remain poorly understood at present due to a lack of systematic studies with relatively large

values. This work addressed this issue by applying dynamic Monte Carlo simulations with independently tuned interchain and intrachain interactions to investigate the size and dynamics of the ring melts with chain lengths over a wide range of 0.2

≤

≤80

(

is the entanglement length of corresponding linear chains) under different topological constraints

including all-crossing and inter-crossing systems. We found that it was inappropriate to treat the unknotting constraint free energy of the ring chains in the melts as the free energy contributed by the excluded volume interactions of polymers in a good solvent. Scaling exponents of 2.5 and 1.5 reflecting the

-dependence of

were obtained for long ring chains in non-crossing and intra-crossing systems

respectively

suggesting that the ring chains behaved as individual clusters and exhibited Zimm-like dynamics in intra-crossing systems. A single scaling exponent of −2 reflecting the

-dependence of

was obtained for ring chains in non-crossing and intra-crossing systems

indicating that the intrachain constraints affected only the value of

and had little influence on the scaling relationship between

and

. Furthermore

the extended Stokes-Einstein relation broke down for the ring chains in the non-crossing and intra-crossing systems because the structural relaxation and translational diffusion were decoupled for the short ring systems

while both the translational diffusion and rotational relaxations

as well as diffusion at short and long time scales

were decoupled for long ring systems.

关键词

Keywords

references

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