Passive one-particle microrheology of an unentangled polymer melt studied by molecular dynamics simulation

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Aug;90(2):022602. doi: 10.1103/PhysRevE.90.022602. Epub 2014 Aug 5.

Abstract

We present a molecular dynamics simulation study of the possibility of performing a microrheological analysis of a polymer melt by following the Brownian motion of a dispersed nanoparticle. We study the influence of the size of the nanoparticle, taken to be comparable to the radius of gyration of the chains, and of the strength of the interaction between the nanoparticle and the repeat units of the polymer chains. The influence of the presence of the nanoparticle on the melt mechanical behavior is analyzed, and the importance of effects of different levels of hydrodynamic analysis on the frequency-dependent dynamic shear modulus derived from the particle motion is worked out.

MeSH terms

  • Hydrodynamics
  • Linear Models
  • Molecular Dynamics Simulation*
  • Motion
  • Nanoparticles*
  • Particle Size
  • Polymers*
  • Rheology / methods*
  • Viscoelastic Substances

Substances

  • Polymers
  • Viscoelastic Substances