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  4. The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface
 
research article

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

Vacha, Robert
•
Rick, Steven W.
•
Jungwirth, Pavel
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2011
Journal of the American Chemical Society

We established the charge and structure of the oil/water interface by combining zeta-potential measurements, sum frequency scattering (SFS) and molecular dynamics simulations. The SFS experiments show that the orientation of water molecules can be followed on the oil droplet/water interface. The average water orientation on a neat oil droplet/water interface is the same as the water orientation on a negatively charged interface. pH dependent experiments show, however, that there is no sign of selective adsorption of hydroxide ions. Molecular dynamics simulations, both with and without intermolecular charge transfer, show that the balance of accepting and donating hydrogen bonds is broken in the interfacial layer, leading to surface charging. This can account for the negative surface charge that is found in experiments.

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Type
research article
DOI
10.1021/ja202081x
Web of Science ID

WOS:000292715600048

PubMed ID

21568343

Author(s)
Vacha, Robert
Rick, Steven W.
Jungwirth, Pavel
de Beer, Alex G. F.
de Aguiar, Hilton B.
Samson, Jean-Sebastien
Roke, Sylvie  
Date Issued

2011

Published in
Journal of the American Chemical Society
Volume

133

Issue

26

Start page

10204

End page

10210

Subjects

Sum-Frequency Generation

•

2Nd-Harmonic Generation

•

Aqueous-Solutions

•

Liquid Water

•

Vibrational Spectroscopy

•

Molecular-Dynamics

•

Hydrated Proton

•

Hydroxide Ions

•

Neat Water

•

In-Water

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LBP  
Available on Infoscience
December 16, 2011
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/73845
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