Vapor-liquid surface tension of strong short-range Yukawa fluid

TL;DR

This paper investigates the surface tension of strong short-range Yukawa fluids using Monte Carlo methods, extending the understanding of their thermodynamic properties and exploring lower temperature regimes where glassy dynamics occur.

Contribution

It introduces a combined approach using slab technique and Monte Carlo methods, including replica exchange, to accurately determine surface tension in Yukawa fluids at lower temperatures.

Findings

Good agreement between REMC and standard MC in coexistence curves

REMC enables exploration of lower temperature regimes

Surface tension results are consistent across methods

Abstract

The thermodynamic properties of strong short-range attractive Yukawa fluids, k=10, 9, 8, and 7, are determined by combining the slab technique with the standard and the replica exchange Monte Carlo (REMC) methods. A good agreement was found among the coexistence curves of these systems calculated by REMC and those previously reported in the literature. However, REMC allows exploring the coexistence at lower temperatures, where dynamics turns glassy. To obtain the surface tension we employed, for both methods, a procedure that yields the pressure tensor components for discontinuous potentials. The surface tension results obtained by the standard MC and REMC techniques are in good agreement.