Molecular Simulations On The Inhibitor Mechanism And Hydrogen Storage Of The Hydrate

Investigation of the inhibitor mechanism of the gas hydrate is of great importance in storage and transportation of natural gas and petroleum gas industry. The analysis of the stable structure of the hydrogen-hydrate system can throw some light on the experimental research of the capacity of hydrogen storage in hydrate. In this paper, the inhibitor mechanism of the gas hydrate and the stable structure of the hydrogen-hydrate system were studied by the molecular simulation method.Stable (001) surface of natural gas hydrate with structure H (SH) was obtained by molecular dynamics (MD) simulation. The effect of three kinetic inhibitors on the surface at 277 K was investigated systematically, the result showed that the hydrogen bonding was formed clearly between oxygen of inhibitor and the water molecule of the hydrate surface, and the original stable structure was destroyed. The clathrate...