Karatrantos, A., Composto, R.J., Winey, K.I. et al. (1 more author) (2017) Polymer and spherical nanoparticle diffusion in nanocomposites. Journal of Chemical Physics, 146 (20). 203331. ISSN 0021-9606
Abstract
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2017 AIP Publishing. This is an author produced version of a paper subsequently published in Journal of Chemical Physics. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Science (Sheffield) |
Funding Information: | Funder Grant number ENGINEERING AND PHYSICAL SCIENCE RESEARCH COUNCIL (EPSRC) EP/J018503/1 |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 02 Jun 2017 11:24 |
Last Modified: | 23 Mar 2018 06:16 |
Published Version: | https://doi.org/10.1063/1.4981258 |
Status: | Published |
Publisher: | AIP Publishing |
Refereed: | Yes |
Identification Number: | 10.1063/1.4981258 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:117140 |