Revisiting the semi-flexible entangled chains of polymer in the carbyne model

TL;DR

This paper modifies the Monte Carlo carbyne model to study how the glass transition temperature of semi-flexible entangled polymer chains decreases with film thickness, highlighting the role of void formation in thin films.

Contribution

It introduces a modified Monte Carlo carbyne model incorporating monomer mobility and void formation to analyze glass transition in thin polymer films.

Findings

Glass transition temperature decreases with film thinning

Critical voids facilitate easier glass transition in thin films

Model captures the impact of film thickness on polymer behavior

Abstract

The Monte Carlo carbyne model is modified to investigate the glass transition of the semi-flexible entangled polymer chains. The stochastic bombardment between monomers are monitored by Metropolis algorithm with help of the consideration of hard potential while the mobility of monomers is governed by its mass, scattering rate and temperature. Our model is capable to show that the glass transition temperature reduces with decreasing film thickness and the formation of critical voids in the thinner polymer contributing to the glass transition that is much easier than the bulk polymer.