2013 年 23 巻 2 号 p. 94-102
We review recent advances in prediction of phase behaviors of various clathrate hydrates with firm statistical mechanical ground, in which the classical theory is extended to multiple occupation of cages and substitution of a fully occupied state for an empty hydrate structure. It is demonstrated that they indeed work effectively in predicting the dissociation pressures of clathrate hydrates containing hydrogen and some hydrocarbon molecules.