Cited Article: Maibaum, L. A coarse-grained model of water confined in a hydrophobic tube
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Title:
Hydrophobic Interactions and Dewetting between Plates with Hydrophobic and Hydrophilic Domains
Authors:
Hua, L; Zangi, R; Berne, BJ
Author Full Names:
Hua, Lan; Zangi, Ronen; Berne, B. J.
Source:
JOURNAL OF PHYSICAL CHEMISTRY C 113 (13): 5244-5253 APR 2 2009
Language:
English
Document Type:
Article
KeyWords Plus:
SOLVENT-INDUCED FORCES; MOLECULAR-DYNAMICS; TEMPERATURE-DEPENDENCE; ANTI-COOPERATIVITY; SPATIAL DEPENDENCE; CONFINED FLUID; LENGTH SCALES; AQUEOUS UREA; LONG-RANGE; MEAN FORCE
Abstract:
We study by molecular dynamics simulations the wetting/dewetting transition and the dependence of the free energy on the distance between plates that contain both hydrophobic and hydrophilic particles. We show that dewetting is very sensitive to the distribution of hydrophobic and hydrophilic domains. In particular, we find that plates characterized by a large domain of hydrophobic sites induce a dewetting transition and an attractive solvent-induced interaction. On the other hand, a homogeneous distribution of the hydrophobic and hydrophilic particles on the plates prevents the dewetting transition and produces a repulsive solvent-induced interaction. We also present results for a system resembling a "Janus interface" in which one plate consists of hydrophobic particles and the other consists of hydrophilic particles showing that the interplate gap remains wet until steric constraints at small separations eject the water molecules. Our results indicate that the Cassie equat!
ion, for the contact angle of a heterogeneous plate, can not be used to predict the critical distance of dewetting. These results indicate that hydrophobic interactions between nanoscale surfaces with strong large length-scale hydrophobicity can be highly cooperative and thus they argue against additivity of the hydrophobic interactions between different surface domains in these cases. These findings are pertinent to certain protein-protein interactions where additivity is commonly assumed.
Reprint Address:
Berne, BJ, Columbia Univ, Dept Chem, 3000 Broadway, New York, NY 10027 USA.
Research Institution addresses:
[Hua, Lan; Zangi, Ronen; Berne, B. J.] Columbia Univ, Dept Chem, New York, NY 10027 USA
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Cited Reference Count:
81
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1932-7447
DOI:
10.1021/jp8088758
IDS Number:
424TT
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