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- W2018399462 abstract "Molecular dynamics simulation has been conducted in order to obtain the fundamental understanding for the formation mechanism of CO2 clathrate-hydrate that suppresses the dissolution of liquid CO2 isolated at deep ocean floor. It was demonstrated that the H2O molecules formed a characteristic cage structure of type I clathrate around the CO2 guest molecules after 260 ps from the initial condition of H2O molecules at pressurized water state. CO2 clathrate-hydrate formation kinetics has elucidated that the interactions between the CO2 guest molecules would form a low potential region, which has an effect to suppress the H2O molecules motions in a two-dimensional plane and assist to form cage structures consisted of 5 and 6 membered rings." @default.
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- W2018399462 date "1997-01-01" @default.
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- W2018399462 title "CO2 clathrate-hydrate formation and its mechanism by molecular dynamics simulation" @default.
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- W2018399462 doi "https://doi.org/10.1016/s0196-8904(96)00285-3" @default.
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