Confined Dynamics in Spherical Polymer Brushes
Document Type
Article
Date of Original Version
11-21-2023
Abstract
We investigate the dynamics of polymers grafted to spherical nanoparticles in solution using hybrid molecular dynamics simulations with a coarse-grained solvent modeled via the multiparticle collision dynamics algorithm. The mean-square displacements of monomers near the surface of the nanoparticle exhibit a plateau on intermediate time scales, indicating confined dynamics reminiscent of those reported in neutron spin-echo experiments. The confined dynamics vanish beyond a specific radial distance from the nanoparticle surface that depends on the polymer grafting density. We show that this dynamical confinement transition follows theoretical predictions for the critical distance associated with the structural transition from confined to semidilute brush regimes. These findings suggest the existence of a hitherto unreported dynamic length scale connected with theoretically predicted static fluctuations in spherical polymer brushes and provide new insights into recent experimental observations.
Publication Title, e.g., Journal
ACS Macro Letters
Volume
12
Issue
11
Citation/Publisher Attribution
Kotkar, Shivraj B., Michael P. Howard, Arash Nikoubashman, Jacinta C. Conrad, Ryan Poling-Skutvik, and Jeremy C. Palmer. "Confined Dynamics in Spherical Polymer Brushes." ACS Macro Letters 12, 11 (2023). doi: 10.1021/acsmacrolett.3c00505.