Structure of water nanoconfined between hydrophobic surfaces -: art. no. 054707

被引：52
|
作者：
Gordillo, MC
Nagy, G
Martí, J
机构：
[1] Univ Pablo de Olavide, Fac Ciencias Expt, Dept Ciencias Ambientales, Seville 41013, Spain
[2] KFKI Atom Energy Res Inst, Dept Mat, H-1525 Budapest, Hungary
[3] Univ Politecn Cataluna, Dept Fis & Engn Nucl, ES-08034 Barcelona, Catalonia, Spain
来源：
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 05期
基金：
匈牙利科学研究基金会;
关键词：
D O I：
10.1063/1.1961197
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We report the results of a series of molecular-dynamics simulations of liquid water confined between two graphite plates with separations ranging from 7 to 15 angstrom. Energies and free energies are provided, indicating also the corresponding stability density span of confined water phases. The structure of the different liquid layers is also discussed for all the considered systems. In particular, we studied atomic density profiles, two-dimensional radial distribution functions, hydrogen bonding, and angular orientations near the carbon plates. (C) 2005 American Institute of Physics.
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页数：9
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