Different dynamic behaviors between asymmetric catenanes and bonded rings
- 1College of Physics, Chengdu University of Technology Chengdu 610059 China
- 2Guang'an Institute of Technology Guang'an 638000 China
Abstract
A hybrid mesoscopic simulation scheme integrating multi-particle collision dynamics (MPCD) and molecular dynamics (MD) was adopted to probe the dynamic responses and conformational evolution of semi-flexible asymmetric mechanically linked ([2]catenanes, PC) and chemically bonded (bonded rings, BR) ring polymers with different linkage modes under shear flow fields. First, by analyzing the prolateness, asphericity, and three-dimensional surface area of the ring, we reveal that the rings of asymmetric PC and BR adopt an identical conformation as a disc-like structure, whereas the symmetric PC and BR exhibit distinct conformations, with the symmetric PC forming a disc-like structure after shear thinning. The asymmetric PC undergoes tumbling motion, while that of BR exhibits tank-treading rolling motion; the symmetric PC undergoes alternating slip-tumbling motion; while that of BR exhibits alternating tank-treading slip motion. Second, we investigated the dynamic behavior of ring polymers with different linkage modes. We analyzed the time evolution of the relative position vector components between the two ring centroids and the three-dimensional surface normal vector components of the rings. It is found that they exhibit two distinct dynamic behaviors: continuous motion and intermittent motion.
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BibTeX
@article{li2026different,
title = {{Different dynamic behaviors between asymmetric catenanes and bonded rings}},
author = {Rundong Li and Xiaohui Wen and Xinbiao Huang and Zhuling Jiang and Yao Li},
journal = {RSC advances},
year = {2026},
month = oct,
doi = {10.1039/d6ra05054a},
url = {https://europepmc.org/article/PMC/PMC13670031},
note = {CC BY-NC},
}
RIS
TY - JOUR
TI - Different dynamic behaviors between asymmetric catenanes and bonded rings
AU - Rundong Li
AU - Xiaohui Wen
AU - Xinbiao Huang
AU - Zhuling Jiang
AU - Yao Li
PY - 2026
DA - 2026/10/15
JO - RSC advances
DO - 10.1039/d6ra05054a
UR - https://europepmc.org/article/PMC/PMC13670031
AB - A hybrid mesoscopic simulation scheme integrating multi-particle collision dynamics (MPCD) and molecular dynamics (MD) was adopted to probe the dynamic responses and conformational evolution of semi-flexible asymmetric mechanically linked ([2]catenanes, PC) and chemically bonded (bonded rings, BR) ring polymers with different linkage modes under shear flow fields. First, by analyzing the prolateness, asphericity, and three-dimensional surface area of the ring, we reveal that the rings of asymmetric PC and BR adopt an identical conformation as a disc-like structure, whereas the symmetric PC and BR exhibit distinct conformations, with the symmetric PC forming a disc-like structure after shear thinning. The asymmetric PC undergoes tumbling motion, while that of BR exhibits tank-treading rolling motion; the symmetric PC undergoes alternating slip-tumbling motion; while that of BR exhibits alternating tank-treading slip motion. Second, we investigated the dynamic behavior of ring polymers with different linkage modes. We analyzed the time evolution of the relative position vector components between the two ring centroids and the three-dimensional surface normal vector components of the rings. It is found that they exhibit two distinct dynamic behaviors: continuous motion and intermittent motion.
SN - 2046-2069
ER -