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

[Display omitted] 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...

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Published inMendeleev communications Vol. 29; no. 6; pp. 705 - 706
Main Authors Gets, Kirill V., Zhdanov, Ravil K., Bozhko, Yulia Yu, Subbotin, Oleg S., Belosludov, Vladimir R.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.11.2019
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Summary:[Display omitted] 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.
ISSN:0959-9436
DOI:10.1016/j.mencom.2019.11.036