Simulating Azeotropic mixture in Vapour Liquid Equilibrium

Abstract

Several research papers have predicted the existence of azeotropic clusters. Our motivation was to validate this prediction by simulating and observing azeotropic behaviour in vapour-liquid equilibrium. To achieve this, we employed three distinct techniques: cluster formation, free energy surface analysis, and vapour-liquid simulation. Our study was able to form clusters in the simulation, as well as analyze the free energy surface of the vapour-liquid phase. Furthermore, we were able to achieve vapour-liquid equilibrium during our experiments.