Diffusion of Thin Nanorods in Polymer Melts.

Journal Article (Journal Article)

The diffusion of monomerically thin nanorods in polymer melts is studied by molecular dynamics simulations. We focus on the systems where chains are long enough to screen the hydrodynamic interactions such that the diffusion coefficient D for the direction parallel to the rod decreases linearly with increasing rod length l . In unentangled polymers, the diffusion coefficient for the direction normal to the rod exhibits a crossover from D ~ l -2 to D ~ l -1 with increasing l , corresponding to a progressive coupling of nanorod motion to the polymers. Accordingly, the rotational diffusion coefficient D RD l -2 ~ l -4 and then D R ~ l -3 as l increases. In entangled polymers, D and D R are suppressed for l larger than the entanglement mesh size a . D ~ l -3 and D R ~ l -5 for l sufficiently above a in agreement with de Gennes' rod reptation model.

Full Text

Duke Authors

Cited Authors

  • Wang, J; O'Connor, TC; Grest, GS; Zheng, Y; Rubinstein, M; Ge, T

Published Date

  • August 2021

Published In

Volume / Issue

  • 54 / 15

Start / End Page

  • 7051 - 7059

PubMed ID

  • 35935463

Pubmed Central ID

  • PMC9347642

Electronic International Standard Serial Number (EISSN)

  • 1520-5835

International Standard Serial Number (ISSN)

  • 0024-9297

Digital Object Identifier (DOI)

  • 10.1021/acs.macromol.1c00989


  • eng