Thermodynamic Selection of Clathrate Frames that Can Form
in Gas Hydrates

V. I. Kosyakov and V. A. Shestakov

Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences,
pr. Akademika Lavrent’eva 3, Novosibirsk, 630090 Russia

Received May 23, 1996

Abstract—For the 6–12 potential describing guest–guest interactions, the ranges of parameter values within
which clathrate hydrates are stable were determined by calculating potential energy variations accompanying
the formation of 13 clathrate hydrates from ice Ih and liquid clathrate-forming substances. Medium-size guest
molecules can form KC-1-type clathrates, whereas smaller and bulkier guests form KC-2 structures with all and
only large voids occupied, respectively.

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