抄録
Molecular dynamics simulation of the dissociation processes for methane hydrate is performed with 2944 TIP4P water molecules and 512 OPLS methane molecules under the constant pressure and temperature. The dissociation process is classified into three stages. In the first stage, almost no structural change from crystal hydrate occurs. In the second stage, the hydrate structure undergoes substantial dissociation. The last stage is characterized by the separation between water and methane phases, and there are monomers and many clusters for methane molecules.
