Confined Dynamics in Spherical Polymer Brushes

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Shivraj B. Kotkar - , University of Houston (Author)
  • Michael P. Howard - , Auburn University (Author)
  • Arash Nikoubashman - , Chair of Theory of Bioinspired Polymers, Leibniz Institute of Polymer Research Dresden (Author)
  • Jacinta C. Conrad - , University of Houston (Author)
  • Ryan Poling-Skutvik - , University of Rhode Island (Author)
  • Jeremy C. Palmer - , University of Houston (Author)

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.

Details

Original languageEnglish
Pages (from-to)1503-1509
Number of pages7
JournalACS macro letters
Volume12
Issue number11
Publication statusPublished - 21 Nov 2023
Peer-reviewedYes

External IDs

PubMed 37879104