Adsorption of water on the NaCl(001) surface. III. Monte Carlo simulations at ambient temperatures

被引：41

作者：

Engkvist, O ^{[1
]}

Stone, AJ ^{[1
]}

机构：

[1] Univ Cambridge, Chem Lab, Cambridge CB2 1EW, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 112卷 / 15期

关键词：

D O I：

10.1063/1.481257

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：

Adsorption of water on NaCl(001) is studied at room temperature using recently constructed intermolecular potentials. Coverages of 0.5 and 3.0 water molecules per NaCl were studied in molecular simulations. At low coverage water molecules cluster on the surface to form islands, while at higher coverage a layered structure appears. These results are in agreement with recent Fourier transform infrared spectroscopy measurements. (C) 2000 American Institute of Physics. [S0021-9606(00)70415-6].

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页码：6827 / 6833

页数：7

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