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Journal of Structural Chemistry

2012 year, number 4

Theoretical investigation of ozone hydrate formation conditions

O. S. Subbotin, T. P. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, V. R. Belosludov
Keywords: lattice dynamics, thermodynamic properties, phase transitions, clathrate hydrates, ozone, oxygen
Pages: 640-646

Abstract

Structural, dynamic, and thermodynamic properties of ozone, oxygen, and mixed ozone-oxygen hydrates are investigated. The thermodynamic stability regions of these hydrates are found. Ozone can form hydrates at ambient pressure and temperatures below 230 K. Strong dependence of the binary hydrate formation pressure on the ozone concentration in the gas phase is shown. In the formation of the hydrate, ozone concentrates in the hydrate phase. At an ozone concentration of 5 mol.% in the gas phase, the ozone content in the hydrate reaches 40%.