Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session B15: Polyelectrolyte Complexation
11:30 AM–2:30 PM,
Monday, March 6, 2023
Room: Room 207
Sponsoring
Unit:
DPOLY
Chair: Scott Danielsen, Duke University
Abstract: B15.00014 : Various Types of Polyampholyte Necklaces: Charge-in-Beads, Charge-in-Strings, and Hierarchical Structures
2:06 PM–2:18 PM
Presenter:
Yiheng Wu
(University of Chicago)
Authors:
Yiheng Wu
(University of Chicago)
Artem Rumyantsev
(University of Chicago)
Juan J De Pablo
(University of Chicago)
Herein, we corroborate the predictions of ref. [1] by molecular dynamics simulations. For the first time, the charge-in-strings necklace is detected in simulations. As the charge blockiness increases, the crossover between charge-in-beads and charge-in-strings necklaces occurs. This crossover is accompanied by a non-monotonic change in the number of globular beads, which is consistent with the theoretical predictions of ref. [1].
Further, we extend our theoretical framework to arbitrary solvent quality. Under poor solvent conditions and at high charge blockiness, a scaling region is found where a new, hybrid type of necklace is predicted. This hierarchical necklace can be viewed as a small classical necklace in ref. [2] forming within the charge-in-strings necklaces. Our findings can help understand the conformations of IDPs.
[1] Rumyantsev, A. M.; Johner, A.; de Pablo, J. J., ACS Macro Letter, 2021.
[2] Dobrynin, A. V.; Rubinstein, M.; Obukhov, S. P., Macromolecules, 1996.
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