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：2025-03-11

- Salt Effects on Sliding Dynamics of Charged Ring on Diblock Polyelectrolyte Chain in Catenane
- Chinese Journal of Polymer Science Vol. 43, Pages: 1-11(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：23 January 2025，
  
  Accepted：2025-01-31，
  
  Published Online：11 March 2025，
  
  Published：2025-02
- Accepted：
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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. https://doi.org/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/OL]. Chinese journal of polymer science, 2025, 431-11.
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. https://doi.org/10.1007/s10118-025-3311-0 DOI：

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/OL]. Chinese journal of polymer science, 2025, 431-11. DOI： 10.1007/s10118-025-3311-0.

摘要

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

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

http://notExist.jpg

and diffusion coefficient

of ring are influenced by the salt type

electrostatic interac

tion strength

and salt concentration

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

http://notExist.jpg

$$ D $$

http://notExist.jpg

first decreases and then increases as

$$ A $$

http://notExist.jpg

increases when

$$ A $$

http://notExist.jpg

is not large. At large

$$ A $$

http://notExist.jpg

$$ D $$

http://notExist.jpg

decreases with an increase in

$$ A $$

http://notExist.jpg

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

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

http://notExist.jpg

exhibited intermediate oscillating behavior at moderate

$$ A $$

http://notExist.jpg

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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