01412nas a2200157   4500008004100000245011000041210006900151260000800220520079800228100002001026700002001046700001401066700001901080700002501099856013001124       2011                        eng d00aMolecular dynamics simulations of ch4 clathrate hydrate dissociation adjacent to hydrated silica surfaces0 aMolecular dynamics simulations of ch4 clathrate hydrate dissocia  cJUL3 a<p>We use molecular dynamics simulations to study the decomposition of structure I CH4 clathrate hydrate exposed to water. Simulations are performed for a hydrate + water system and two related cases with the hydrate adjacent to hydrate silica layers. The simulations are in the NVE adiabatic ensemble paying careful attention to the non-isothermal nature of the hydrate dissociation process. The effects of mass and energy transfer on the hydrate dissociation rate are studied. The effect of the silica surface on the dissociation rate and mechanism are studied. It is observed that the hydrate layer decomposes more quickly in simulations where it is in contact with silica. The implications on decomposition of the hydrate in hydrate reservoirs adjacent to sand sediments are discussed.</p>1 aBagherzadeh, A.1 aEnglezos, Peter1 aAlavi, S.1 aKumar, Rajnish1 aRipmeester, John, A.  uhttps://library.ncl.res.in/content/molecular-dynamics-simulations-ch4-clathrate-hydrate-dissociation-adjacent-hydrated-silica