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Updated: May 31, 2026

Controlling the Size, Shape and Stability of Supramolecular Polymers in Water

Controlling the Size, Shape and Stability of Supramolecular Polymers in Water

Published on: August 2, 2012

Salt-induced aggregation of stiff polyelectrolytes.

Hossein Fazli¹, Sarah Mohammadinejad, Ramin Golestanian

¹Institute for Advanced Studies in Basic Sciences (IASBS), PO Box 45195-1159, Zanjan 45195, Iran.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|July 1, 2011

Summary

Molecular dynamics simulations reveal how charged polymers aggregate into bundles, similar to colloid flocculation. The process favors finite bundles and suggests a negligible energy barrier for aggregation.

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Assembly and Characterization of Polyelectrolyte Complex Micelles

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Published on: March 2, 2020

Area of Science:

Polymer Science
Colloid Science
Computational Chemistry

Background:

Highly charged stiff polyelectrolytes are crucial in various biological and industrial applications.
Understanding their aggregation behavior is key to controlling material properties.

Purpose of the Study:

To investigate the aggregation dynamics of highly charged stiff polyelectrolytes in the presence of multivalent salt.
To elucidate the kinetic pathways and final structures formed during aggregation.

Main Methods:

Utilized molecular dynamics (MD) simulation techniques.
Analyzed the kinetics and thermodynamics of polyelectrolyte aggregation.

Main Results:

Identified a dominant kinetic mode where one polyelectrolyte end meets others perpendicularly.
Observed aggregation pathways resembling Smoluchowski flocculation dynamics.
Found a preference for forming finite bundles of 10-11 filaments at equilibrium.
Deduced a negligible energy barrier for aggregation by comparing cluster size distributions with the Smoluchowski formula.
Reported the formation of long-lived metastable, raft-like structures analogous to actin filaments within specific salt concentrations.

Conclusions:

The aggregation of charged stiff polyelectrolytes is governed by specific kinetic pathways and leads to finite bundle formation.
The process is efficient, with minimal energy barriers, and can yield complex metastable structures relevant to biological systems.