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JOURNALS // Mendeleev Communications // Archive

Mendeleev Commun., 2019 Volume 29, Issue 6, Pages 705–706 (Mi mendc1639)

Communications

Stability of O3+N2, O3+O2 and O3+CO2 double hydrates: DFT study

K. V. Getsab, R. K. Zhdanovab, Yu. Yu. Bozhkoab, O. S. Subbotinab, V. R. Belosludovab

a Department of Physics, Novosibirsk State University, Novosibirsk, Russian Federation
b A.V. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, Russian Federation

Abstract: The possibility of formation of double O3+N2, O3+O2, O3+CO2 hydrates and their structural and energetic properties have been estimated using the DFT calculations in order to expand the hydrate application in ozone storage technology. It was shown that N2 is the most suitable helper gas that could stabilize water framework in the presence of ozone.

Language: English

DOI: 10.1016/j.mencom.2019.11.036



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