Prabhu, V.
, Andreev, M.
, Qin, J.
, Tirrell, M.
, de, J.
and Douglas, J.
(2018),
Complex coacervation in polyelectrolytes from a coarse-grained model, ACS Macro Letters, [online], https://doi.org/10.1021/acs.macromol.8b00556
(Accessed October 16, 2024)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Complex coacervation in polyelectrolytes from a coarse-grained model
Published
Author(s)
, Marat Andreev, Jian Qin, Matthew Tirrell, Juan J. de Pablo,
Abstract
Polyelectrolyte coacervation refers to the formation of distinct liquid phases that arise when polyelectrolytes of opposite charge are mixed under appropriate polymer and salt concentrations. Molecular-level studies of complex polyelectrolyte coacervation have been limited. In this work, a coarse-grained model of the polymers and the corresponding counter-ions is proposed. The model is used to simulate coacervation as a function of polymer length and overall salt concentration. The results of simulations in different ensembles reproduce a number of phenomena observed in experiments, including the destabilization of the coacervate region by increasing ionic strength or by decreasing molecular weight. The results of the model are also shown to compare favorably with experimental measurements of dynamic modulus.Citation
ACS Macro Letters
Volume
51
Pub Type
Journals
Download Paper
Keywords
polyelectrolyte, coacervation, dynamics
Citation
Issues
If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.
Created August 22, 2018, Updated February 12, 2020