A polymer-tethered particle confined in a slit

TL;DR

This study uses molecular dynamics simulations to explore how polymer-tethered particles behave under confinement in slit pores, revealing new structural formations influenced by wall interactions and slit width.

Contribution

It introduces the first detailed simulation analysis of shape transformations of tethered nanoparticles confined in slit geometries, highlighting novel structures formed under various wall interactions.

Findings

Attractive walls induce bridge-like structures such as pillars and spools.

Particles form mound or starfish-like structures in wide, strongly attractive pores.

Wall interaction strength and slit width significantly influence particle configurations.

Abstract

Shape transformations of hairy nanoparticles under confinement are studied using molecular dynamic simulations. We discuss the behavior of these particles in slits with inert or attractive walls. We assume that only chain-wall interactions are attractive. The impact of the strength of interactions with the walls and the width of the slits on the particle configuration is shown. In the case of attractive surfaces, we found new structures in which the chains are connected with both walls and form bridges between them: pillars, symmetrical and asymmetrical spools, and hourglasses. In wide pores with strongly attractive walls, hairy particles adsorb on one of the surfaces and form "mounds" or starfish-like strucures.