A model provides insight into electric field-induced rupture mechanism of water-in-toluene emulsion films

TL;DR

This study uses molecular dynamics simulations to explore how electric fields induce rupture in water-in-toluene emulsion films, highlighting charge accumulation and electric discharge as key mechanisms.

Contribution

First MD simulation model for electric field-induced rupture of water-in-toluene emulsion films, emphasizing charge accumulation and electric discharge mechanisms.

Findings

Charge accumulation triggers film rupture under electric fields.

NPT ensemble with constant surface tension better models real films.

Critical electric field value for rupture identified.

Abstract

This paper presents the first MD simulations of a model, which we have designed for understanding the development of electro-induced instability of a thin toluene emulsion film in contact with saline aqueous phase. This study demonstrates the charge accumulation role in toluene film rupture when a DC electric field is applied. The critical value of the external field at which film ruptures, thin film charge distribution, capacitance, number densities and film structure have been obtained in simulating the system within NVT and NPT ensembles. A mechanism of thin film rupture driven by the electric discharge is suggested.We show that NPT ensemble with a constant surface tension is a better choice for further modeling of the systems that resemble more close the real films.