We investigate the dispersion of various spherical nanoparticles in ionic nanocomposites and the effects of chain dimensions and entanglements for dilute and high nanoparticle loading, by means of molecular dynamics simulations and experiments. We model nanoparticles either as hard core spheres or as surface nanoparticles that mimic nanosilicas used in experiments. Nanoparticle dispersion can be achieved, due to the presence of ionic bonding, in oligomeric or entangled matrices, in contrast with conventional nanocomposites where the electrostatic interaction is absent. We show that the overall configuration, as characterized by the radius of gyration, of ionic oligomers is unperturbed by the presence of charged nanoparticles. In addition, coarse grained simulations predict that nanoparticle diffusion is reduced due to the electrostatic interaction and deviates from the predictions of the Stokes Einstein relation<sup>1</sup>. Charged hard core spheres are found to move by a hopping mechanism<sup>1</sup>. Preliminary experiments on silica nanoparticles dispersed in oppositely charged poly(dimethylsiloxane) matrix and the viscoelastic properties of the resultant nanocomposites are described as well.

Miscibility and diffusion in ionic nanocomposites

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.