Polymer and spherical nanoparticle diffusion in nanocomposites

Entanglements in polymer nanocomposites containing spherical nanoparticles.

We investigate the polymer packing around nanoparticles and polymer/nanoparticle topological constraints (entanglements) in nanocomposites containing spherical nanoparticles in comparison to pure polymer melts using molecular dynamics (MD) simulations. The polymer-nanoparticle attraction leads to good dispersion of nanoparticles. We observe an increase in the number of topological constraints (...

Polymer conformations in polymer nanocomposites containing spherical nanoparticles.

We investigate the effect of various spherical nanoparticles on chain dimensions in polymer melts for high nanoparticle loading which is larger than the percolation threshold, using molecular dynamics simulations. We show that polymer chains are unperturbed by the presence of repulsive nanoparticles. In contrast polymer chains can be perturbed by the presence of attractive nanoparticles when th...

Nanoparticle dispersion in polymer nanocomposites by spin-diffusion-averaged paramagnetic enhanced NMR relaxometry.

We developed an analytical relationship between nuclear magnetic relaxation and interparticle spacings in polymer nanocomposites filled with paramagnetic-impurity-containing clay nanoparticles. Using (1)H NMR relaxometry, clay nanoparticle dispersion was quantified and agrees with interparticle spacing distributions determined from statistical analysis of TEM images. Some information on the ove...

Structure, entanglements and dynamics of polymer nanocomposites containing spherical nanoparticles

Multiscale Modeling of Covalently Grafted Nanoparticle/polymer Nanocomposites