Fundamental study on wettability of pure metal for water; Theoretical Approach

Saito, Junichi  ; Kobayashi, Yohei*; Shibutani, Hideo*

Wettability of metal by liquid sodium has been studied to understand and control the wettability. As part of this study, the wettability of metal by water was investigated by experiment and electron theory. The electronic states of interface between water and pure metal was calculated using the cluster models of pure metal and water. The DV-X alpha method was utilized for this calculation. Nine kinds of pure metal were selected as the substrate metal. An electronic density of state of interface was similar to that of bulk metal. In all the substrate metal the strength of atomic bonding between water and substrate metal atom was weaker than that between substrate metal atoms. Furthermore it was weaker than that between sodium and substrate metal atom calculated in our previous study. It is considered that this calculation result is related the different of contact angle with metal between water and liquid sodium.