2006 年 33 巻 4 号 p. 230-
A molecular dynamics simulation of a three-phase system including a gas hydrate, liquid water and a gas was carried out in order to investigate the growth mechanism of the hydrate. The results suggested a two-step process for growth: first, gas molecules are arranged at cage sites on an interface between the hydrate and the water, and second, H_2O molecules are ordered near the gas molecules. Moreover, cage formation process by the H_2O molecules around the gas molecules was analyzed in detail. Details of the cage formation process will be discussed at the presentation.