Amb motiu del tancament d'estiu, la validació de documents es reprendrà a partir del 28 d'agost de 2026. Disculpeu les molèsties.
Con motivo del cierre de verano, la validación de documentos se reanudará a partir del 28 de agosto de 2026. Disculpad las molestias
Due to the summer closure, document validation will resume starting August 28, 2026. We apologize for any inconvenience.

Files

671935.pdf (13.96 MB)

Document type

Article

Version

Published version

Publication date

2017-05-01

All rights reserved

Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/120992

Insight into Electric field-induced rupture mechanism of water-in-toluene emulsion films from a model system

Journal Title

Authors

Director/Tutor

Journal ISSN

Volume Title

Related resource

https://doi.org/10.1063/1.4983163

Abstract

This paper presents a model, which we have designed to get insight into the development of electro- induced instability of a thin toluene emulsion film in contact with the saline aqueous phase. Molecular dynamics (MD) simulations demonstrate the role of charge accumulation in the toluene-film rupture induced by a DC electric field. Two ensembles¿NVT and NPT ¿are used to determine the critical value of the external field at which the film ruptures, the charge distribution and capacitance of the thin film, number densities, and the film structure. The rupture mechanism as seen from this model is the following: in both NVT and NPT ensembles, condenser plates, where the charge density is maximal, are situated at the very border between the bulk aqueous (water) phase and the mixed layer. No ion penetration is observed within the toluene core, thus leaving all the distribution of charges within the mixed zone and the bulk phase that could be attributed to the formation of hydration shells. When the critical electric field is reached within a certain time after the field application, electric discharge occurs indicating the beginning of the rupturing process. The MD simulations indicate that the NPT ensemble predicts a value of the critical field that is closer to the experimental finding. Published by AIP Publishing. [http://dx.doi.org/10.1063/1.4983163

Subject

Dinàmica molecular, Elèctrodes, Camps elèctrics

Subject (English)

Molecular dynamics, Electrodes, Electric fields

Citation

Collections

Articles publicats en revistes (Ciència dels Materials i Química Física)

Citation

DIMOVA, Desislava, et al. Insight into Electric field-induced rupture mechanism of water-in-toluene emulsion films from a model system. Journal of Chemical Physics. 2017. Vol. 146, num. 194703-1-194703-6. ISSN 0021-9606. [consulted: 19 of August of 2026]. Available at: https://hdl.handle.net/2445/120992

Export metadata

JSON - METS

Share record