Молекулярное моделирование бинарных газовых гидратов CO2/CH4, CO2/N2 и N2/CH4

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Молекулярное моделирование бинарных газовых гидратов CO2/CH4, CO2/N2 и N2/CH4. / Sizova, A. A.; Grintsevich, S. A.; Kochurin, M. A.; Sizov, V. V.; Brodskaya, E. N.

In: Colloid Journal, Vol. 83, No. 3, 05.2021, p. 372-378.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{d2d47ee19e834d2ebba02627abef1be8,

title = "Молекулярное моделирование бинарных газовых гидратов CO2/CH4, CO2/N2 и N2/CH4",

abstract = "Grand canonical Monte Carlo simulations were performed to study the occupancy of structure I multicomponent gas hydrates by CO2/CH4, CO2/N-2, and N-2/CH4 binary gas mixtures with various compositions at a temperature of 270 K and pressures up to 70 atm. The presence of nitrogen in the gas mixture allows for an increase of both the hydrate framework selectivity to CO2 and the amount of carbon dioxide encapsulated in hydrate cages, as compared to the CO2/CH4 hydrate. Despite the selectivity to CH4 molecules demonstrated by N-2/CH4 hydrate, nitrogen can compete with methane if the gas mixture contains at least 70% of N-2.",

keywords = "CARBON-DIOXIDE, METHANE HYDRATE, REPLACEMENT, EQUILIBRIUM, MIXTURES, CO2",

author = "Sizova, {A. A.} and Grintsevich, {S. A.} and Kochurin, {M. A.} and Sizov, {V. V.} and Brodskaya, {E. N.}",

note = "Publisher Copyright: {\textcopyright} 2021, The Author(s).",

year = "2021",

month = may,

doi = "10.1134/S1061933X21030145",

language = "русский",

volume = "83",

pages = "372--378",

journal = "Colloid Journal",

issn = "1061-933X",

publisher = "Pleiades Publishing",

number = "3",

}

RIS

TY - JOUR

T1 - Молекулярное моделирование бинарных газовых гидратов CO2/CH4, CO2/N2 и N2/CH4

AU - Sizova, A. A.

AU - Grintsevich, S. A.

AU - Kochurin, M. A.

AU - Sizov, V. V.

AU - Brodskaya, E. N.

PY - 2021/5

Y1 - 2021/5

N2 - Grand canonical Monte Carlo simulations were performed to study the occupancy of structure I multicomponent gas hydrates by CO2/CH4, CO2/N-2, and N-2/CH4 binary gas mixtures with various compositions at a temperature of 270 K and pressures up to 70 atm. The presence of nitrogen in the gas mixture allows for an increase of both the hydrate framework selectivity to CO2 and the amount of carbon dioxide encapsulated in hydrate cages, as compared to the CO2/CH4 hydrate. Despite the selectivity to CH4 molecules demonstrated by N-2/CH4 hydrate, nitrogen can compete with methane if the gas mixture contains at least 70% of N-2.

AB - Grand canonical Monte Carlo simulations were performed to study the occupancy of structure I multicomponent gas hydrates by CO2/CH4, CO2/N-2, and N-2/CH4 binary gas mixtures with various compositions at a temperature of 270 K and pressures up to 70 atm. The presence of nitrogen in the gas mixture allows for an increase of both the hydrate framework selectivity to CO2 and the amount of carbon dioxide encapsulated in hydrate cages, as compared to the CO2/CH4 hydrate. Despite the selectivity to CH4 molecules demonstrated by N-2/CH4 hydrate, nitrogen can compete with methane if the gas mixture contains at least 70% of N-2.

KW - CARBON-DIOXIDE

KW - METHANE HYDRATE

KW - REPLACEMENT

KW - EQUILIBRIUM

KW - MIXTURES

KW - CO2

UR - http://www.scopus.com/inward/record.url?scp=85107707305&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/454e44dc-19ad-308a-84e5-bf9a005a7112/

U2 - 10.1134/S1061933X21030145

DO - 10.1134/S1061933X21030145

M3 - статья

AN - SCOPUS:85107707305

VL - 83

SP - 372

EP - 378

JO - Colloid Journal

JF - Colloid Journal

SN - 1061-933X

IS - 3

ER -

ID: 84693925