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- Title
A molecularly informed field-theoretic study of the complexation of polycation PDADMA with mixed micelles of sodium dodecyl sulfate and ethoxylated surfactants.
- Authors
Nguyen, My; Shen, Kevin; Sherck, Nicholas; Köhler, Stephan; Gupta, Rohini; Delaney, Kris T.; Shell, M. Scott; Fredrickson, Glenn H.
- Abstract
The self-assembly and phase separation of mixtures of polyelectrolytes and surfactants are important to a range of applications, from formulating personal care products to drug encapsulation. In contrast to systems of oppositely charged polyelectrolytes, in polyelectrolyte-surfactant systems the surfactants micellize into structures that are highly responsive to solution conditions. In this work, we examine how the morphology of micelles and degree of polyelectrolyte adsorption dynamically change upon varying the mixing ratio of charged and neutral surfactants. Specifically, we consider a solution of the cationic polyelectrolyte polydiallyldimethylammonium, anionic surfactant sodium dodecyl sulfate, neutral ethoxylated surfactants (C m EO n ), sodium chloride salt, and water. To capture the chemical specificity of these species, we leverage recent developments in constructing molecularly informed field theories via coarse-graining from all-atom simulations. Our results show how changing the surfactant mixing ratios and the identity of the nonionic surfactant modulates micelle size and surface charge, and as a result dictates the degree of polyelectrolyte adsorption. These results are in semi-quantitative agreement with experimental observations on the same system.
- Subjects
SURFACE active agents; NONIONIC surfactants; PHASE separation; SODIUM dodecyl sulfate; ANIONIC surfactants; MICELLES; ELECTROLYTE solutions
- Publication
European Physical Journal E -- Soft Matter, 2023, Vol 46, Issue 9, p1
- ISSN
1292-8941
- Publication type
Article
- DOI
10.1140/epje/s10189-023-00332-4