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Polymers 2018, 10(9), 1010; https://doi.org/10.3390/polym10091010

Miscibility and Nanoparticle Diffusion in Ionic Nanocomposites

1
Materials Research and Technology, Luxembourg Institute of Science and Technology, 5, Avenue des Hauts-Fourneaux, L-4362 Esch-sur-Alzette, Luxembourg
2
Center of Innovation and Research in Materials and Polymers (CIRMAP), Laboratory of Polymeric and Composite Materials, University of Mons & Materia Nova Research Centre, Place du Parc 20, B-7000 Mons, Belgium
3
Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH, UK
4
Polymer Physics, Department of Materials, ETH Zurich, Leopold-Ruzicka-Weg 4, CH-8093 Zurich, Switzerland
*
Authors to whom correspondence should be addressed.
Received: 2 August 2018 / Revised: 31 August 2018 / Accepted: 5 September 2018 / Published: 10 September 2018
(This article belongs to the Special Issue Multiscale Modeling of Polymers)
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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. View Full-Text
Keywords: ionic nanocomposites; miscibility; chain dimensions; nanoparticle diffusion ionic nanocomposites; miscibility; chain dimensions; nanoparticle diffusion
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Karatrantos, A.; Koutsawa, Y.; Dubois, P.; Clarke, N.; Kröger, M. Miscibility and Nanoparticle Diffusion in Ionic Nanocomposites. Polymers 2018, 10, 1010.

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