MOLECULAR CHARACTERISTICS OF DISSOCIATED WATER WITH MEMORY EFFECT FROM METHANE HYDRATES

QB Li and C Liu and X Chen, INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 28, 1450062 (2014).

DOI: 10.1142/S0217979214500623

The properties of sI methane hydrate dissociation at different temperatures are investigated using molecular dynamics (MD) simulations, focusing on the characteristics of structure of melting water that has memory effect. Upon melting, the clathrate structures of hydrate are damaged. The density of dissolved methane decreases as the melting temperature rises. There is a positive correlation between the density of dissociated water molecules and melting temperature. Most oxygen atoms of dissociated water molecules remain tetrahedrally coordinated whereas the hydrate-like torsion angles (H-O-O-H) are like that of normal water. Therefore, the tetrahedrally coordinated oxygen atoms are one of the factors contributing to the memory effect.

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