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 in | Mendeleev communications Vol. 29; no. 6; pp. 705 - 706 |
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| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
01.11.2019
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| Online Access | Get full text |
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| Abstract | [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. |
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| AbstractList | [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. |
| Author | Gets, Kirill V. Subbotin, Oleg S. Zhdanov, Ravil K. Belosludov, Vladimir R. Bozhko, Yulia Yu |
| Author_xml | – sequence: 1 givenname: Kirill V. surname: Gets fullname: Gets, Kirill V. email: gets@niic.nsc.ru organization: Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russian Federation – sequence: 2 givenname: Ravil K. surname: Zhdanov fullname: Zhdanov, Ravil K. organization: Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russian Federation – sequence: 3 givenname: Yulia Yu surname: Bozhko fullname: Bozhko, Yulia Yu organization: Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russian Federation – sequence: 4 givenname: Oleg S. surname: Subbotin fullname: Subbotin, Oleg S. organization: Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russian Federation – sequence: 5 givenname: Vladimir R. surname: Belosludov fullname: Belosludov, Vladimir R. organization: Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russian Federation |
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| Cites_doi | 10.1134/S0022476612040026 10.1021/jp408763z 10.1021/acs.jpcc.8b09504 10.1039/C8CP01595C 10.1063/1.438628 10.1039/C3NJ01377D 10.1002/jcc.21729 10.1063/1.479128 10.1021/acssuschemeng.8b01859 10.1134/S0022476612040014 10.1371/journal.pone.0048563 10.1021/jp2089565 |
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| Title | Stability of O3+N2, O3+O2 and O3+CO2 double hydrates: DFT study |
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