Structure and assembly of dense solutions and melts of single tethered nanoparticles.

Effective Interactions, Structure, and Phase Behavior of Lightly Tethered Nanoparticles in Polymer Melts

We have generalized the microscopic polymer reference interaction site model (PRISM) theory to study the structure and phase behavior of polymer-tethered spherical nanoparticles in a dense homopolymer melt. In the absence of a polymer matrix, fluids of such hybrid nanoparticles show strong concentration fluctuations indicative of aggregate formation and/or a tendency for microphase separation a...

Molecular simulation study of self-assembly of tethered V-shaped nanoparticles.

We use Brownian dynamics to investigate the self-assembly of single end tethered, laterally tethered, and double end tethered V-shaped nanoparticles. The simulation results are compared with model bent-core molecules without tethers and polymer tethered nanorods to elucidate the combined effects of V-shaped geometry and the immiscibility between the V-shaped nanoparticles and the tethers on the...

Engineering Nano-aggregates: β-Cyclodextrin Facilitates the Thiol-Gold Nanoparticle Self-Assembly

The structure and morphology of nonmaterial formed by colloidal synthesis represent a subject of interest as it is a factor deciding the physicochemical properties and biological applications of nanostructures. Among various nanoparticles, gold can develop fractal assembled patterns. Herein, we report a nano-aggregate of a thiol-on-gold self-assembled structure and the influence of β-cyclodextr...

comparison between to versions of the SAFT EOS in the study of PVT and VLE phase behavior of pure polymer melts and binary polymer solutions

Controlling the localization of nanoparticles in assemblies of amphiphilic diblock copolymers.

We performed a dissipative particle dynamics (DPD) approach to study the self-assembly of AB diblock copolymer tethered nanoparticles (P) in dilute solutions. Different morphological aggregates, including spherical micelles, vesicles, disk-like micelles and rod-like micelles, were found by varying the interaction between block copolymers and nanoparticles. Most importantly, the nanoparticles ca...