過冷却水の分子挙動に及ぼす金属表面の影響
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Study on surface effect of heterogeneous nucleation was investigated using molecular dynamics method with NPT ensemble. Around 1000 water molecules were used and set in a periodic cell. Platinum was selected as material for top and bottom surfaces, since its lattice constant fits closely with ice Ih. Temperature and pressure were set at 250 K and 0. 1 MPa, respectively, for each calculation. Behavior of ice Ih on fcc(111) surface was examined. It was found that the structure of ice remained stable in a case of platinum surface and the structure was destroyed in a case of having a slightly different lattice constant. Behavior of water on Pt surface was also investigated by varying the shape of the surface. Three types of surface were selected, namely, a flat surface, a surface with one projection and a surface with three projections. It was found that, in a case of a flat plate, water next to Pt surface was strongly influenced by the surface and was prevented from forming ice structure. In a case of having one projection, there was a tendency to form an ice structure near the surface. In a case of having three projections, however, the tendency was weakened. Hence, it was concluded that heterogeneous nucleation of water is affected by a lattice constant of the substance as well as the shape of the surface.
- 公益社団法人 日本冷凍空調学会の論文
公益社団法人 日本冷凍空調学会 | 論文
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