Influence of solvent quality on polymer solutions: a Monte Carlo study of bulk and interfacial properties

TL;DR

This study uses Monte Carlo simulations to explore how solvent quality influences the bulk and interfacial properties of polymer solutions across dilute and semi-dilute regimes, revealing notable differences between good and theta solvents.

Contribution

It provides a detailed computational analysis of solvent effects on polymer solution properties, highlighting differences between good and theta solvent conditions.

Findings

Physical properties in dilute theta solvents resemble ideal polymers.

Significant differences emerge in semi-dilute regimes.

Calculated properties include equation of state, surface tension, and depletion potentials.

Abstract

The effect of solvent quality on dilute and semi-dilute regimes of polymers in solution is studied by means of Monte Carlo simulations. The equation of state, adsorptions near a hard wall, wall-polymer surface tension and effective depletion potentials are all calculated as a function of concentration and solvent quality. We find important differences between polymers in good and theta solvents. In the dilute regime, the physical properties for polymers in a theta solvent closely resemble those of ideal polymers. In the semi-dilute regime, however, significant differences are found.