a.Department of Physics, Wenzhou University, Wenzhou 325035, China
b.Shanghai Technical Institute of Electronics & Information, Shanghai 201411, China
c.College of Electronics and Information Engineering, Shanghai University of Electric Power, Shanghai 200090, China
wangxianghong@stiei.edu.cn (X.H.W.)
ke.li@shiep.edu.cn (K.L.)
linlihe@wzu.edu.cn (L.L.H.)
收稿:2026-02-21,
录用:2026-04-09,
网络首发:2026-07-06,
纸质出版:2026-05
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Yan, S. Y.; Wang, X. H.; Li, K.; He, L. L. Sliding dynamics of ring chain on a rod-coil block copolymer in rotaxane. Chinese J. Polym. Sci. https://doi.org/10.1007/s10118-026-3711-9
Si-Yi Yan, Xiang-Hong Wang, Ke Li, et al. Sliding Dynamics of Ring Chain on a Rod-Coil Block Copolymer in Rotaxane[J/OL]. Chinese Journal of Polymer Science, 2026, 441-9.
Yan, S. Y.; Wang, X. H.; Li, K.; He, L. L. Sliding dynamics of ring chain on a rod-coil block copolymer in rotaxane. Chinese J. Polym. Sci. https://doi.org/10.1007/s10118-026-3711-9 DOI:
Si-Yi Yan, Xiang-Hong Wang, Ke Li, et al. Sliding Dynamics of Ring Chain on a Rod-Coil Block Copolymer in Rotaxane[J/OL]. Chinese Journal of Polymer Science, 2026, 441-9. DOI: 10.1007/s10118-026-3711-9.
Rotaxanes are a class of mechanically interlocked polymers characterized by the sliding motion of ring molecules along a linear backbone. The dynamic behavior of a ring plays a critical role in determining its material properties. In this study
molecular dynamics simulations were performed to investigate the sliding dynamics of a ring on a rod-coil copolymer in rotaxane. We find that both the mean square displacement
$$ {g}_{3} \left(t\right) $$
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and the diffusion coefficient
D
of the rings are influenced by the rod-to-coil length ratio
α
the stretching degree
μ
of the coil block
and the ring size
$$ {N}_{\mathrm{ring}} $$
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. The mean square displacement
$$ {g}_{3} \left(t\right) $$
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shows sub-diffusive behavior at intermediate time scales owing to the heterogeneous backbone. The diffusion coefficient exhibits nonmonotonic dependence on
α
and
μ
.
D
first decreased and then increased as
α
increased
indicating that the ring diffused faster on more homogeneous copolymer chains.
D
increases with
μ
under a moderate stretching degree of the coil block
but decreases under near full extension
which demonstrates that the dynamics of the ring are governed by a competition between the chain flattening and the coil block’s fluctuation. Similarly
ring size
$$ {N}_{\mathrm{ring}} $$
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has a nonmonotonic influence on the diffusion coefficient
D
. This study provides molecular-level insights into the manipulation of sliding dynamics in rod-coil-based rotaxanes
thereby offering a theoretical basis for the design of functional slide-ring materials through topological control.
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