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Unveiling the transition of tumbling and tank-treading dynamics of star-shaped polyelectrolytes in shear flow by modulating the solution's dielectric properties.

Authors :
Peng, Bo
Liu, Lijun
Wang, Dapeng
Source :
Journal of Chemical Physics. 5/14/2024, Vol. 160 Issue 18, p1-13. 13p.
Publication Year :
2024

Abstract

The effects of the solution's dielectric properties on the conformation and dynamics of star-shaped polyelectrolytes in shear flow are investigated using a hybrid simulation method coupling multi-particle collision dynamics and molecular dynamics. The simulation results showed that by modulating the dielectric properties of the solution, star-shaped polyelectrolytes showed a three-step dynamic behavior transition from tumbling to tank-treading to tumbling dynamics under shear flow. The analysis indicated that this distinct transition in dynamics could be attributed to the uneven distribution of counterions induced by shear on the chain, resulting in a change in the polyelectrolyte conformation and degree of segmental alignment in arms. These findings contribute to a comprehensive understanding of the non-equilibrium dynamics of star-shaped polyelectrolytes in shear flow and offer a viable approach for controlling the dynamic behavior of star-shaped polyelectrolytes by adjusting the dielectric properties of the solution. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
160
Issue :
18
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
177227172
Full Text :
https://doi.org/10.1063/5.0198272