caa a22 4500 528786571 20190819030723.0 cr unu---uuuuu 180924e201809 xx s 000 0 eng 10.3929/ethz-b-000289698 doi 10.3390/polym10091010 doi (ETHRESEARCH)oai:www.research-collection.ethz.ch:20.500.11850/289698 Miscibility and Nanoparticle Diffusion in Ionic Nanocomposites [Elektronische Daten] [Argyrios Karatrantos, Yao Koutsawa, Philippe Dubois, Nigel Clarke, Martin; id_orcid 0000-0003-1402-6714 Kröger] Open access ethresearch 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. Creative Commons Attribution 4.0 International http://creativecommons.org/licenses/by/4.0 ethresearch ionic nanocomposites ethresearch miscibility ethresearch chain dimensions ethresearch nanoparticle diffusion ethresearch Karatrantos Argyrios joint author Koutsawa Yao joint author Dubois Philippe joint author Clarke Nigel joint author Kröger Martin; id_orcid 0000-0003-1402-6714 joint author Polymers Basel : MDPI 10 (9), p. 1010 http://hdl.handle.net/20.500.11850/289698 text/html WWW-Backlink auf das Repository (Open access) 1 Journal Article ethresearch ETHRESEARCH 856 40 http://hdl.handle.net/20.500.11850/289698 text/html WWW-Backlink auf das Repository (Open access) ETHRESEARCH 700 1- Karatrantos Argyrios joint author ETHRESEARCH 700 1- Koutsawa Yao joint author ETHRESEARCH 700 1- Dubois Philippe joint author ETHRESEARCH 700 1- Clarke Nigel joint author ETHRESEARCH 700 1- Kröger Martin; id_orcid 0000-0003-1402-6714 joint author ETHRESEARCH 773 0- Polymers Basel : MDPI 10 (9), p. 1010 BK010053 XK010053 XK010000 ETHRESEARCH ETHRESEARCH ETHRESEARCH Journal Article Open access