Confined Dynamics in Spherical Polymer Brushes

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Beitragende

  • Shivraj B. Kotkar - , University of Houston (Autor:in)
  • Michael P. Howard - , Auburn University (Autor:in)
  • Arash Nikoubashman - , Professur für Theorie biologisch inspirierter Polymere (g.B. IPF), Leibniz-Institut für Polymerforschung Dresden (Autor:in)
  • Jacinta C. Conrad - , University of Houston (Autor:in)
  • Ryan Poling-Skutvik - , University of Rhode Island (Autor:in)
  • Jeremy C. Palmer - , University of Houston (Autor:in)

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

OriginalspracheEnglisch
Seiten (von - bis)1503-1509
Seitenumfang7
FachzeitschriftACS macro letters
Jahrgang12
Ausgabenummer11
PublikationsstatusVeröffentlicht - 21 Nov. 2023
Peer-Review-StatusJa

Externe IDs

PubMed 37879104