Examination of saturation coverage of short polymers using random sequential adsorption algorithm

TL;DR

This study investigates the saturation coverage of various short polymers using a random sequential adsorption algorithm, revealing how shape and aspect ratio influence packing density and microstructure.

Contribution

It provides new insights into how the aspect ratio and shape of polymers affect saturation coverage and microstructure in RSA-based packing.

Findings

Coverage decreases as polymers are elongated from squares to hexamers.

Aspect ratio of 2 yields the highest jamming coverage.

Saturation is identified when RSA insertion slows significantly.

Abstract

We filled a void with a regular or asymmetric pattern without overlap using a time-dependent packing method termed random sequential adsorption (RSA). In the infinite-time limit, the density of coverage frequently hits a limit. This study focused on the saturation packing of squares and their dimers, trimers, tetramers, pentamers, and hexamers, all of which were orientated in two randomly chosen orientations (vertical and horizontal). Our results concurred with those of previous extrapolation-based research1. We used the "separating axis theorem" to detect if freshly added polygons and previously put ones overlapped. When RSA insertion became disproportionately sluggish, we concluded that saturation had been attained. We also discovered that the system's capacity to fill the area decreased as squares were stretched into dimers and trimmers. The microstructure of the resultant saturation was also thoroughly investigated, including block function and the structural arrangement of dimers and trimers. Based on results of ref2, it is predicted that layer adsorbed onto a substrate will not hinder diffusion. Moreover, it was found that the adsorbed rectangles' aspect ratio had an impact on the coverage percentage at the jamming limit, with aspect ratios of 2 (like dimers here) producing the highest jamming coverage. As a result, the current results are a more in-depth expansion of the report in reference3.