Polymer and spherical nanoparticle diffusion in nanocomposites.

J Chem Phys

Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH, United Kingdom.

Published: May 2017

Nanoparticle and polymer dynamics in nanocomposites containing spherical nanoparticles were investigated by means of molecular dynamics simulations. We show that the polymer diffusivity decreases with nanoparticle loading due to an increase of the interfacial area created by nanoparticles, in the polymer matrix. We show that small sized nanoparticles can diffuse much faster than that predicted from the Stokes-Einstein relation in the dilute regime. We show that the nanoparticle diffusivity decreases at higher nanoparticle loading due to nanoparticle-polymer interface. Increase of the nanoparticle radius slows the nanoparticle diffusion.

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http://dx.doi.org/10.1063/1.4981258DOI Listing

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