Defects induced polymer aggregates: A theoretical study

TL;DR

This theoretical study models how three-dimensional defects act as attractive centers, promoting the formation of polymer aggregates by analyzing thermodynamic parameters and chain behavior.

Contribution

It introduces a three-dimensional Gaussian polymer model to explain defect-induced aggregation, providing analytical insights into the process.

Findings

Aggregation is favored with three-dimensional defect extensions.

Thermodynamic parameters support the aggregation mechanism.

Analytical calculations validate the influence of defect geometry.

Abstract

. We consider three dimensional model of the Gaussian polymer chain in the presence of defects to understand the formation of a polymer aggregate where the aggregate is induced by the defects. The defects are acting as an attractive centres of the monomers and it induces aggregation of the monomers of the chain around the defects. It has been shown using the analytical calculations that the formation of a polymer aggregates are favoured when the defects have extensions in all the possible three dimensions. We have also calculated relevant other thermo-dynamical parameters (i. e. the average number of the monomers and the average size of the chain about the defect line) of the polymer aggregates to justify our findings.