Two-dimensional percolation phenomena of single-component linear homopolymer brushes

TL;DR

This study uses 3D Monte Carlo simulations to explore how homopolymer brushes on a surface transition from isolated chains to a continuous layer, revealing percolation clusters and critical phenomena.

Contribution

It provides the first detailed phase diagram and analysis of percolation transitions in single-component linear homopolymer brushes.

Findings

Percolation clusters form at intermediate grafting densities.

A phase diagram of the percolation transition is constructed.

Critical phenomena are observed at the transition point.

Abstract

Percolation phenomena of homopolymer brushes on a planar substrate are simulated using the molecular Monte Carlo method in 3 dimensions. The grafted polymers are isolated from each other at extremely low grafting density, whereas a continuous polymer layer covers the whole substrate when the density rises to extremely high values. This indicates that percolation clusters of the grafted polymers, bridging both the edges of the substrate, appear at an intermediate density. We construct phase diagrams of this percolation phenomenon. Critical phenomena at the transition are also studied.