Abstract
Abstract Molecular dynamics simulation has been conducted in order to obtain the fundamental understanding for the formation mechanism of CO 2 clathrate-hydrate that suppresses the dissolution of liquid CO 2 isolated at deep ocean floor. It was demonstrated that the H 2 O molecules formed a characteristic cage structure of type I clathrate around the CO 2 guest molecules after 260 ps from the initial condition of H 2 O molecules at pressurized water state. CO 2 clathrate-hydrate formation kinetics has elucidated that the interactions between the CO 2 guest molecules would form a low potential region, which has an effect to suppress the H 2 O molecules motions in a two-dimensional plane and assist to form cage structures consisted of 5 and 6 membered rings.
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