Theoretical Study of Formation of Hydrates from High-Concentration Metastable Solution of Carbon Dioxide in Water at Various Gas Concentrations

Standard

Theoretical Study of Formation of Hydrates from High-Concentration Metastable Solution of Carbon Dioxide in Water at Various Gas Concentrations. / Gets, K. V.; Zhdanov, R. K.; Bozhko, Y. Y. и др.

в: Journal of Engineering Thermophysics, Том 32, № 3, 09.2023, стр. 502-507.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{bb13ae74c6074c828c47640c9c37144a,

title = "Theoretical Study of Formation of Hydrates from High-Concentration Metastable Solution of Carbon Dioxide in Water at Various Gas Concentrations",

abstract = "This work presents a study of a range of carbon dioxide concentrations at which gas hydrate growth is observed in a homogeneous nonequilibrium solution. The study was done by the method of molecular dynamics. Calculation of the potential energy, tetrahedral order parameter F3 and the number of hydrate cavities has shown that a steady growth occurs at carbon dioxide concentrations of 4.94–12.20 mol. %. At lower concentrations, there are no significant changes in the structure of the solution over the considered time interval. At higher concentrations of carbon dioxide in a supersaturated solution, separation into the gas phase and saturated solution is observed.",

author = "Gets, {K. V.} and Zhdanov, {R. K.} and Bozhko, {Y. Y.} and Subbotin, {O. S.} and Belosludov, {V. R.}",

note = "The study supported by the Russian Science Foundation (grant no. 22-19-00428). O.S. Subbotin thanks the Ministry of Science and Higher Education of the Russian Federation (project no. 121031700321-3) for the possibility of using the cluster for computer calculations. Публикация для корректировки.",

year = "2023",

month = sep,

doi = "10.1134/S1810232823030074",

language = "English",

volume = "32",

pages = "502--507",

journal = "Journal of Engineering Thermophysics",

issn = "1810-2328",

publisher = "Maik Nauka-Interperiodica Publishing",

number = "3",

}

RIS

TY - JOUR

T1 - Theoretical Study of Formation of Hydrates from High-Concentration Metastable Solution of Carbon Dioxide in Water at Various Gas Concentrations

AU - Gets, K. V.

AU - Zhdanov, R. K.

AU - Bozhko, Y. Y.

AU - Subbotin, O. S.

AU - Belosludov, V. R.

N1 - The study supported by the Russian Science Foundation (grant no. 22-19-00428). O.S. Subbotin thanks the Ministry of Science and Higher Education of the Russian Federation (project no. 121031700321-3) for the possibility of using the cluster for computer calculations. Публикация для корректировки.

PY - 2023/9

Y1 - 2023/9

N2 - This work presents a study of a range of carbon dioxide concentrations at which gas hydrate growth is observed in a homogeneous nonequilibrium solution. The study was done by the method of molecular dynamics. Calculation of the potential energy, tetrahedral order parameter F3 and the number of hydrate cavities has shown that a steady growth occurs at carbon dioxide concentrations of 4.94–12.20 mol. %. At lower concentrations, there are no significant changes in the structure of the solution over the considered time interval. At higher concentrations of carbon dioxide in a supersaturated solution, separation into the gas phase and saturated solution is observed.

AB - This work presents a study of a range of carbon dioxide concentrations at which gas hydrate growth is observed in a homogeneous nonequilibrium solution. The study was done by the method of molecular dynamics. Calculation of the potential energy, tetrahedral order parameter F3 and the number of hydrate cavities has shown that a steady growth occurs at carbon dioxide concentrations of 4.94–12.20 mol. %. At lower concentrations, there are no significant changes in the structure of the solution over the considered time interval. At higher concentrations of carbon dioxide in a supersaturated solution, separation into the gas phase and saturated solution is observed.

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85175944526&origin=inward&txGid=c63d22e036acd69b50959b16d046b551

UR - https://www.mendeley.com/catalogue/7dca3b51-c587-3616-9050-c46bd7ef6f45/

U2 - 10.1134/S1810232823030074

DO - 10.1134/S1810232823030074

M3 - Article

VL - 32

SP - 502

EP - 507

JO - Journal of Engineering Thermophysics

JF - Journal of Engineering Thermophysics

SN - 1810-2328

IS - 3

ER -

ID: 59550019