2 research outputs found
Assembly of Nanoparticles at Liquid Interfaces: Crowding and Ordering
Experiments
with the self-assembly of nanoparticles at liquid interfaces
suggest that cooperative and slow dynamical processes due to particle
crowding at the interface govern the adsorption and properties of
the final assembly. Here we report a numerical approach to studying
nonequilibrium adsorption, which elucidates these experimental observations.
The analysis of particle rearrangements shows that local ordering
processes are directly related to adsorption events at high interface
coverage. Interestingly, this feature and the mechanism coupling local
ordering to adsorption do not seem to change qualitatively upon increasing
particle size polydispersity, although the latter changes the interface
microstructure and its final properties. Our results indicate how
adsorption kinetics can be used for the fabrication of 2D nanocomposites
with controlled microstructure
Conformations and Effective Interactions of Polymer-Coated Nanoparticles at Liquid Interfaces
We investigate conformations and
effective interactions of polymer-coated
nanoparticles adsorbed at a model liquid–liquid interface via
molecular dynamics simulations. The polymer shells strongly deform
at the interface, with the shape governed by a balance between maximizing
the decrease in interfacial area between the two solvent components,
minimizing unfavorable contact between polymer and solvent, and maximizing
the conformational entropy of the polymers. Using potential of mean
force calculations, we compute the effective interaction between the
nanoparticles at the liquid–liquid interface. We find that
it differs quantitatively from the bulk and is significantly affected
by the length of the polymer chains and by the solvent quality. Under
good solvent conditions, the effective interactions are always repulsive
and soft for long chains. The repulsion range decreases as the solvent
quality decreases. In particular, under poor solvent conditions, short
chains may fail to induce steric repulsion, leading to a net attraction
between the nanoparticles, whereas with long-enough chains the effective
interaction potential may feature an additional repulsive shoulder
at intermediate distances