Work

Different dynamic behaviors between asymmetric catenanes and bonded rings

Year: 2026

Type: article

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.

Source: RSC Advances

DOI: 10.1039/d6ra05054a

Authors: Rundong Li, Xiaohui Wen, Xinbiao Huang, Zhuling Jiang, Yao Li

Institution: Chengdu University of Technology

Language: English

Topic: Rheology and Fluid Dynamics Studies

Subfield: Fluid Flow and Transfer Processes

Field: Chemical Engineering

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,042

Funder: China Scholarship Council