Molecular processes of ion effects on aqueous nanofilm rupture

Peng, Tiefeng and Chang, Tsun-Mei (2014) Molecular processes of ion effects on aqueous nanofilm rupture. Journal of Molecular Liquids, 193 139-151. doi:10.1016/j.molliq.2013.12.031

Author Peng, Tiefeng
Chang, Tsun-Mei
Title Molecular processes of ion effects on aqueous nanofilm rupture
Journal name Journal of Molecular Liquids   Check publisher's open access policy
ISSN 0167-7322
Publication date 2014-05-01
Year available 2013
Sub-type Article (original research)
DOI 10.1016/j.molliq.2013.12.031
Open Access Status Not yet assessed
Volume 193
Start page 139
End page 151
Total pages 13
Place of publication Amsterdam, Netherlands
Publisher Elsevier BV
Language eng
Subject 2504 Electronic, Optical and Magnetic Materials
3107 Atomic and Molecular Physics, and Optics
3104 Condensed Matter Physics
1607 Spectroscopy
1606 Physical and Theoretical Chemistry
2505 Materials Chemistry
Abstract Much progress has been made in the understanding and application of specific ion effects; however, a detailed interpretation of film stability regarding the ion effect has not yet been achieved. This research aims at developing an understanding of the physico-chemical colloidal aspects in an endeavor to acquire an ability to predetermine specific ion effects on nanofilm rupture. Despite the series of reports published regarding the surfactant-free films, the experimental technique proved nearly to be unable to provide further convincing interpretation towards this issue. Molecular dynamics (MD) technique was applied to investigate the effect of salt ions on film stability in various concentrations with pair-additive and many-body polarizable water-ion potentials to validate with certainty the rupture process of aqueous nanofilms in the absence and presence of salts. Properties of the liquid film including dipole moment, molecular distribution profiles, together with a detailed quantitative analysis of film rupture, potential energy, evidences e.g. ion-water binding energy, Dipole Autocorrelation Functions (DAFs) and disjoining pressure isotherm data were examined. The DAFs of water within the film were observed to be stronger in salt films than in a pure water film. The results show that salt ions destabilize the nanofilms at low concentrations, while the ability of salt to break the films depends on the strength of the ion-water interaction and the molecular partition at the film surfaces.
Keyword Film rupture
Ion effect
Molecular dynamics
Thin film
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2014 Collection
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Citation counts: TR Web of Science Citation Count  Cited 7 times in Thomson Reuters Web of Science Article | Citations
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