화학공학소재연구정보센터
Journal of Chemical Physics, Vol.112, No.15, 6827-6833, 2000
Adsorption of water on the NaCl(001) surface. III. Monte Carlo simulations at ambient temperatures
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].