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%.
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Original Russian Text Copyright © 2012 by O. S. Subbotin, T. P. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, V. R. Belosludov
Devoted to the Jubilee of Academician F. A. Kuznetsov
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Translated from Zhurnal Strukturnoi Khimii, Vol. 53, No. 4, pp. 640–646, July–August, 2012.
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Subbotin, O.S., Adamova, T.P., Belosludov, R.V. et al. Theoretical investigation of ozone hydrate formation conditions. J Struct Chem 53, 627–633 (2012). https://doi.org/10.1134/S0022476612040026
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DOI: https://doi.org/10.1134/S0022476612040026