Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers

TL;DR

This study uses molecular dynamics simulations to analyze how symmetric multiblock copolymer chains form clusters under poor solvent conditions, examining the effects of block length, number of blocks, and temperature on cluster size and phase separation.

Contribution

It provides a comprehensive analysis of cluster formation in symmetric multiblock copolymers under poor solvent conditions, expanding understanding of their static properties.

Findings

Cluster size depends on block length, number of blocks, and temperature.

Blocks with similar monomers form phase-separated clusters.

Results align with recent phase behavior simulations of such copolymers.

Abstract

We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length $N$, the number of blocks $n$, and the solvent quality by variation of the temperature $T$. We study the most symmetrical case, where the number of blocks of monomers of type A, $n_{A}$, equals that of monomers B, $n_{B}$ ($n_{A}=n_{B}=n/2$), the length of all blocks is the same irrespective of their type, and potential parameters are also chosen symmetrically, as for a standard Lennard-Jones fluid. Under poor solvent conditions the chains collapse and blocks with monomers of the same type form clusters, which are phase separated from the clusters with monomers of the other type. We study the dependence of the size of the formed clusters on $n$, $N$ and $T$. Furthermore, we discuss our results with respect to recent simulation data on the phase behaviour of such macromolecules, providing a complete picture for the cluster formations in single multiblock copolymer chains under poor solvent conditions.