Collective Effect of Transformation of a Hydrogen Bond Network at the Initial State of Growth of Methane Hydrate

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Collective Effect of Transformation of a Hydrogen Bond Network at the Initial State of Growth of Methane Hydrate. / Belosludov, V. R.; Gets, K. V.; Zhdanov, R. K. и др.

в: JETP Letters, Том 115, № 3, 02.2022, стр. 124-129.

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

BibTeX

@article{9e50613e3164460da8b7c91a4c3a45d7,

title = "Collective Effect of Transformation of a Hydrogen Bond Network at the Initial State of Growth of Methane Hydrate",

abstract = "The molecular dynamics study of the rearrangement of the dynamic hydrogen bond network of liquid water to the crystal hydrogen bond network of methane hydrate in the process of their formation and growth is conducted. To reveal the nature of nucleation, the time dependences of the degree of “crystallinity” of the nearest environment of all water molecules, the rate of ordering of the hydrogen bond network, and the relation of these parameters to the rate of growth of methane hydrate are studied. The effect of the presence of sea salt ions and hydrate seed on these parameters is analyzed. Systems with a completely mixed gas, i.e., with the minimum induction time, are fabricated, and it is shown that gas hydrates can be nucleated simultaneously in the entire volume of the solution, which in turn indicates the collective formation of hydrates from liquid solution.",

author = "Belosludov, {V. R.} and Gets, {K. V.} and Zhdanov, {R. K.} and Bozhko, {Yu Yu} and Belosludov, {R. V.} and Chen, {L. J.}",

note = "Funding Information: This work was supported by the Russian Foundation for Basic Research (project no. 21-52-52001) jointly with the Ministry of Science and Technology of Taiwan (grant no. 110-2923-E-002-008-MY3). Funding Information: We are grateful to the team of the Center of the Computational Materials Science, Institute for Materials Research, Tohoku University (project no. 2012SC0504) for permanent support in the calculations at the supercomputer. Publisher Copyright: {\textcopyright} 2022, Pleiades Publishing, Inc.",

year = "2022",

month = feb,

doi = "10.1134/S0021364022030031",

language = "English",

volume = "115",

pages = "124--129",

journal = "JETP Letters",

issn = "0021-3640",

publisher = "MAIK NAUKA/INTERPERIODICA/SPRINGER",

number = "3",

}

RIS

TY - JOUR

T1 - Collective Effect of Transformation of a Hydrogen Bond Network at the Initial State of Growth of Methane Hydrate

AU - Belosludov, V. R.

AU - Gets, K. V.

AU - Zhdanov, R. K.

AU - Bozhko, Yu Yu

AU - Belosludov, R. V.

AU - Chen, L. J.

N1 - Funding Information: This work was supported by the Russian Foundation for Basic Research (project no. 21-52-52001) jointly with the Ministry of Science and Technology of Taiwan (grant no. 110-2923-E-002-008-MY3). Funding Information: We are grateful to the team of the Center of the Computational Materials Science, Institute for Materials Research, Tohoku University (project no. 2012SC0504) for permanent support in the calculations at the supercomputer. Publisher Copyright: © 2022, Pleiades Publishing, Inc.

PY - 2022/2

Y1 - 2022/2

N2 - The molecular dynamics study of the rearrangement of the dynamic hydrogen bond network of liquid water to the crystal hydrogen bond network of methane hydrate in the process of their formation and growth is conducted. To reveal the nature of nucleation, the time dependences of the degree of “crystallinity” of the nearest environment of all water molecules, the rate of ordering of the hydrogen bond network, and the relation of these parameters to the rate of growth of methane hydrate are studied. The effect of the presence of sea salt ions and hydrate seed on these parameters is analyzed. Systems with a completely mixed gas, i.e., with the minimum induction time, are fabricated, and it is shown that gas hydrates can be nucleated simultaneously in the entire volume of the solution, which in turn indicates the collective formation of hydrates from liquid solution.

AB - The molecular dynamics study of the rearrangement of the dynamic hydrogen bond network of liquid water to the crystal hydrogen bond network of methane hydrate in the process of their formation and growth is conducted. To reveal the nature of nucleation, the time dependences of the degree of “crystallinity” of the nearest environment of all water molecules, the rate of ordering of the hydrogen bond network, and the relation of these parameters to the rate of growth of methane hydrate are studied. The effect of the presence of sea salt ions and hydrate seed on these parameters is analyzed. Systems with a completely mixed gas, i.e., with the minimum induction time, are fabricated, and it is shown that gas hydrates can be nucleated simultaneously in the entire volume of the solution, which in turn indicates the collective formation of hydrates from liquid solution.

UR - http://www.scopus.com/inward/record.url?scp=85128475432&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/bdac9730-a68c-3629-bdbd-1b7e82af9370/

U2 - 10.1134/S0021364022030031

DO - 10.1134/S0021364022030031

M3 - Article

AN - SCOPUS:85128475432

VL - 115

SP - 124

EP - 129

JO - JETP Letters

JF - JETP Letters

SN - 0021-3640

IS - 3

ER -

ID: 35957514