Document Type
Article
Original Publication Date
2007
Journal/Book/Conference Title
J. Am. Chem. Soc.
Volume
129
Issue
9
First Page
2504
Last Page
2510
DOI of Original Publication
10.1021/ja0659370
Date of Submission
October 2019
Abstract
We manifest a significant influence of field direction and polarity on surface wetting, when the latter is tuned by application of an external electric field. Thermodynamics of field-induced filling of hydrocarbon-like nanopores with water is studied by open ensemble molecular simulation. Increased field strength consistently results in water-filling and electrostriction in hydrophobic nanopores. A threshold field commensurate with surface charge density of about one elementary charge per 10 nm2 suffices to render prototypical paraffin surfaces hydrophilic. When a field is applied in the direction perpendicular to the confining walls, the competition between orientational polarization and angle preferences of interfacial water molecules relative to the walls results in an asymmetric wettability of opposing surfaces (Janus interface). Reduction of surface free energy observed upon alignment of confinement walls with field direction suggests a novel mechanism whereby the applied electric field can operate selectively on water-filled nanotubes while empty ones remain unaffected.
Rights
© 2007 American Chemical Society
Is Part Of
VCU Chemistry Publications
Comments
This is the post-print version of the article published in 2007 at https://doi.org/10.1021/ja0659370.