Monte Carlo simulations reveal the straightening up of an end-grafted flexible chain with a rigid side chain

TL;DR

This study uses Monte Carlo simulations to investigate how a rigid side chain influences the conformation of an end-grafted flexible polymer, revealing significant straightening effects especially when attached at the free end.

Contribution

It provides new insights into the conformational behavior of grafted polymers with rigid side chains, highlighting the impact of side chain length and attachment site.

Findings

Rigid side chains cause the backbone to straighten.

Straightening effect is strongest when attached at the free end.

Conformational changes depend on side chain length and attachment site.

Abstract

We have studied the conformational properties of a flexible end-grafted chain (length $N$) with a rigid side chain (length $S$) by means of Monte Carlo simulations. Depending on the lengths $N$ and $S$ and the branching site, $b$, we observe a considerable straightening of the flexible backbone as quantified via the gyration tensor. For $b=N$, i.e. when attaching the side chain to the free end of the flexible backbone, the effect was strongest.