Karatrantos, A., Koutsawa, Y., Dubois, P. et al. (2 more authors) (2018) Miscibility and nanoparticle diffusion in ionic nanocomposites. Polymers, 10 (9). 1010.
Abstract
We investigate the effect of various spherical nanoparticles in a polymer matrix on dispersion, chain dimensions and entanglements for ionic nanocomposites at dilute and high nanoparticle loading by means of molecular dynamics simulations. The nanoparticle dispersion can be achieved in oligomer matrices due to the presence of electrostatic interactions. We show that the overall configuration of ionic oligomer chains, as characterized by their radii of gyration, can be perturbed at dilute nanoparticle loading by the presence of charged nanoparticles. In addition, the nanoparticle's diffusivity is reduced due to the electrostatic interactions, in comparison to conventional nanocomposites where the electrostatic interaction is absent. The charged nanoparticles are found to move by a hopping mechanism.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0). |
Keywords: | ionic nanocomposites; miscibility; chain dimensions; nanoparticle diffusion |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Science (Sheffield) > Department of Physics and Astronomy (Sheffield) |
Funding Information: | Funder Grant number ENGINEERING AND PHYSICAL SCIENCE RESEARCH COUNCIL (EPSRC) EP/J018503/1 |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 08 Oct 2018 14:22 |
Last Modified: | 08 Oct 2018 14:22 |
Published Version: | https://doi.org/10.3390/polym10091010 |
Status: | Published |
Publisher: | MDPI |
Refereed: | Yes |
Identification Number: | 10.3390/polym10091010 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:136428 |