Gas Storage Materials by Ice at Ordinary Temperatures and Pressures

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The thermodynamic conditions for the formation and stability of clathrate hydrates with complex guest compositions have been determined, with a special emphasis on the possibility of hydrates used as agents for storage of various gases. Over a wide pressure-temperature range, we performed atomistic-level theoretical modeling of structural, dynamical, and thermodynamic properties of various ices and hydrates with differing structures, using our original approach. The influence of the guest molecules on the host lattice of hydrates of differing structure have been examined, with the aim of estimating gas content in the hydrate phase, targeting high contents. The possibility of maintaining self-preservation effects for gas clathrate hydrates has been also investigated.