Bulletin of the American Physical Society
APS March Meeting 2024
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session Q33: Dynamics of Polymers and Polyelectrolytes III
3:00 PM–6:00 PM,
Wednesday, March 6, 2024
Room: 102E
Sponsoring
Unit:
DPOLY
Chair: Laura-Roxana Stingaciu, Oak Ridge National Lab
Abstract: Q33.00015 : Conformational properties of cyclic polyelectrolytes in dilute solution*
5:48 PM–6:00 PM
Presenter:
Jaroslaw Paturej
(University of Silesia in Katowice)
Authors:
Jaroslaw Paturej
(University of Silesia in Katowice)
Andrzej Grzyb
(University of Silesia in Katowice)
Khristine Haydukivska
(University of Silesia in Katowice)
Aykut Erbas
(Bilkent University UNAM)
Jaroslaw S Klos
(A. Mickiewicz University)
We investigate the equilibrium conformations and structure of cyclic PE chains for a wide range of electrostatic strengths and polymerization degrees by using coarse-grained molecular dynamics and scaling arguments. Our analysis demonstrates significant distinctions between ring-shaped PEs and their linear counterparts. As the ionic strength of the solution increases, we observe remarkable shape transitions in PE rings, transitioning from flat to oblate to globular shapes, and these transitions are characterized by singular points. Additionally, simulations reveal that cyclic PEs display a pearl-necklace regime akin to linear PEs. Nonetheless, substantial conformational fluctuations impede the stability of this regime, promoting weakly collapsed polymer configurations irrespective of the degree of polymerization.
*National Science Center, Poland (Grant Sonata Bis No. 2018/30/E/ST3/00428).
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