A1 Refereed original research article in a scientific journal
Interactions between Rigid Polyelectrolytes Mediated by Ordering and Orientation of Multivalent Nonspherical Ions in Salt Solutions
Authors: Vahid, Hossein; Scacchi, Alberto; Sammalkorpi, Maria; Ala-Nissila, Tapio
Publisher: AMER PHYSICAL SOC
Publishing place: COLLEGE PK
Publication year: 2023
Journal:Physical Review Letters
Journal name in sourcePHYSICAL REVIEW LETTERS
Journal acronym: PHYS REV LETT
Article number: 158202
Volume: 130
Issue: 15
Number of pages: 6
ISSN: 0031-9007
eISSN: 1079-7114
DOI: https://doi.org/10.1103/PhysRevLett.130.158202
Abstract
Multivalent ions in solutions with polyelectrolytes (PEs) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how in addition to valency, ion shape and concentration can be harnessed as tools to control rigid like-charged PE-PE interactions. We demonstrate a correlation between the orientational ordering of aspherical ions and how they mediate the effective PE-PE attraction induced by multivalency. The interaction type, strength, and range can thus be externally controlled in ionic solutions. Our results can be used as generic guidelines to tune the self-assembly of like-charged polyelectrolytes by variation of the characteristics of the ions.
Multivalent ions in solutions with polyelectrolytes (PEs) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how in addition to valency, ion shape and concentration can be harnessed as tools to control rigid like-charged PE-PE interactions. We demonstrate a correlation between the orientational ordering of aspherical ions and how they mediate the effective PE-PE attraction induced by multivalency. The interaction type, strength, and range can thus be externally controlled in ionic solutions. Our results can be used as generic guidelines to tune the self-assembly of like-charged polyelectrolytes by variation of the characteristics of the ions.
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