Influence of Deep Eutectic Solvent Composition on Micelle Properties: A Molecular Dynamics Study.

ABSTRACT: This study investigates the structural and transport properties of SDS, CTAB, and SB3-12 micelles in three deep eutectic solvents (DESs), Ethaline, Glyceline, and Reline, using molecular dynamics (MD) simulations. The influence of solvent composition on micelle morphology, interactions, and dynamics was explored, revealing key differences driven by the DES environment. Structural analyses, including eccentricity and radius of gyration, demonstrated that micelle shape and compactness vary significantly depending on the solvent. In Ethaline and Reline, larger micelles showed significant deviations from spherical shapes, while micelles in Glyceline became more spherical and compact, particularly those formed by SB3-12. Radial distribution functions highlighted different levels of micelle-solv

SUBMITTER: Voroshylova IV 

PROVIDER: S-EPMC11821091 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature