Salt Effects on Sliding Dynamics of Charged Ring on Diblock Polyelectrolyte Chain in Catenane

Jia-Xin Wu; Zhi-Yong Yang; Ke Li; Lin-Xi Zhang

doi:10.1007/s10118-025-3311-0

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Salt Effects on Sliding Dynamics of Charged Ring on Diblock Polyelectrolyte Chain in Catenane

RESEARCH ARTICLE | Updated：2025-07-14

- Salt Effects on Sliding Dynamics of Charged Ring on Diblock Polyelectrolyte Chain in Catenane
- Chinese Journal of Polymer Science Vol. 43, Issue 5, Pages: 837-847(2025)
- Affiliations：
  
  a.School of Physics, Zhejiang University, Hangzhou 310027, China
  b.Department of Physics, Jiangxi Agricultural University, Nanchang 330045, China
  c.College of Electronics and Information Engineering, Shanghai University of Electric Power, Shanghai 200090, China
- Author bio：
  
  ke.li@shiep.edu.cn (K.L.)
  lxzhang@zju.edu.cn (L.X.Z.)
- Funds：
- DOI：10.1007/s10118-025-3311-0
  CLC：
- Received：24 December 2024，
  
  Revised：2025-01-23，
  
  Accepted：31 January 2025，
  
  Online First：11 March 2025，
  
  Published：30 April 2025
- Accepted：
Scan QR Code
Wu, J. X.; Yang, Z. Y.; Li, K.; Zhang, L. X. Salt effects on sliding dynamics of charged ring on diblock polyelectrolyte chain in catenane. Chinese J. Polym. Sci. 2025, 43, 837–847

Jia-Xin Wu, Zhi-Yong Yang, Ke Li, et al. Salt Effects on Sliding Dynamics of Charged Ring on Diblock Polyelectrolyte Chain in Catenane[J]. Chinese Journal of Polymer Science, 2025, 43(5): 837-847.
Wu, J. X.; Yang, Z. Y.; Li, K.; Zhang, L. X. Salt effects on sliding dynamics of charged ring on diblock polyelectrolyte chain in catenane. Chinese J. Polym. Sci. 2025, 43, 837–847 DOI： 10.1007/s10118-025-3311-0.

Jia-Xin Wu, Zhi-Yong Yang, Ke Li, et al. Salt Effects on Sliding Dynamics of Charged Ring on Diblock Polyelectrolyte Chain in Catenane[J]. Chinese Journal of Polymer Science, 2025, 43(5): 837-847. DOI： 10.1007/s10118-025-3311-0.

摘要

The sliding dynamics of charged ring relies strongly on the electrostatic interaction strengths

the salt concentrati

on and valence of cation. And the dependence of the sliding diffusion coefficient

of ring on

in the divalent salt solution is different from that in the monovalent salt solution.

Abstract

Molecular dynamics simulations were performed to investigate the sliding dynamics of a small charged ring chain along rigid cyclic diblock polyelectrolyte in catenane immersed in salt solution. We found that both the mean-square displacement

$$ {g}_{3} \left(t\right) $$

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and diffusion coefficient

of ring are influenced by the salt type

electrostatic interaction strength

and salt concentration

$$ {c}_{{\mathrm{s}}} $$

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$$ D $$

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=78728532&type=

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first decreases and then increases as

$$ A $$

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increases when

$$ A $$

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is not large. At large

$$ A $$

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=78728595&type=

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$$ D $$

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=78728581&type=

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decreases with an increase in

$$ A $$

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=78728608&type=

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owing to the polyelectrolyte charge reversal caused by the aggregation of ions near it. Meanwhile

$$ {g}_{3} \left(t\right) $$

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exhibited intermediate oscillating behavior at moderate

$$ A $$

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=78728609&type=

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in monovalent cation salt solution. The sliding dynamics of ring can be attributed to the free energy landscape for diffusion. According to the potential of mean force (PMF) of ring chain

we found that our simulation results agreed well with the theoretical results of Lifson-Jackson formula. This study can provide a practical model for the diffusion of charged particles in different dielectric and periodic media

and provides a new perspective for regulating the sliding dynamics of mechanically interlocked molecules in electrolyte solutions.

关键词

Keywords

references

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