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

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]. [References: 43]