Molecular Simulations of CO2/CH4, CO2/N2 and N2/CH4 Binary Mixed Hydrates

被引：11

作者：

Sizova, A. A. ^{[1
]}

Grintsevich, S. A. ^{[1
]}

Kochurin, M. A. ^{[1
]}

Sizov, V. V. ^{[1
]}

Brodskaya, E. N. ^{[1
]}

机构：

[1] St Petersburg State Univ, St Petersburg 198504, Russia

来源：

COLLOID JOURNAL | 2021年 / 83卷 / 03期

基金：

俄罗斯基础研究基金会;

关键词：

CARBON-DIOXIDE; METHANE HYDRATE; REPLACEMENT; EQUILIBRIUM; MIXTURES; CO2;

D O I：

10.1134/S1061933X21030145

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：372 / 378

页数：7

共 34 条

[1] A potential model for the study of ices and amorphous water:: TIP4P/Ice -: art. no. 234511 [J].

Abascal, JLF ;

Sanz, E ;

Fernández, RG ;

Vega, C .

JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (23)

[2] HYDRATES OF CARBON-DIOXIDE AND METHANE MIXTURES [J].

ADISASMITO, S ;

FRANK, RJ ;

SLOAN, ED .

JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1991, 36 (01) :68-71

[3] Replacement mechanism of methane hydrate with carbon dioxide from microsecond molecular dynamics simulations [J].

Bai, Dongsheng ;

Zhang, Xianren ;

Chen, Guangjin ;

Wang, Wenchuan .

ENERGY & ENVIRONMENTAL SCIENCE, 2012, 5 (05) :7033-7041

[4] The Inik Sikumi Field Experiment, Alaska North Slope: Design, Operations, and Implications for CO2-CH4 Exchange in Gas Hydrate Reservoirs [J].

Boswell, Ray ;

Schoderbek, David ;

Collett, Timothy S. ;

Ohtsuki, Satoshi ;

White, Mark ;

Anderson, Brian J. .

ENERGY & FUELS, 2017, 31 (01) :140-153

[5] Direct experiments on the ocean disposal of fossil fuel CO2 [J].

Brewer, PG ;

Friederich, C ;

Peltzer, ET ;

Orr, FM .

SCIENCE, 1999, 284 (5416) :943-945

[6] Kinetics of Methane Hydrate Replacement with Carbon Dioxide and Nitrogen Gas Mixture Using in Situ NMR Spectroscopy [J].

Cha, Minjun ;

Shin, Kyuchul ;

Lee, Huen ;

Moudrakovski, Igor L. ;

Ripmeester, John A. ;

Seo, Yutaek .

ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2015, 49 (03) :1964-1971

[7] Free energies of carbon dioxide sequestration and methane recovery in clathrate hydrates [J].

Dornan, Peter ;

Alavi, Saman ;

Woo, T. K. .

JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (12)

[8] Molecular Simulation of the Potential of Methane Reoccupation during the Replacement of Methane Hydrate by CO2 [J].

Geng, Chun-Yu ;

Wen, Hao ;

Zhou, Han .

JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (18) :5463-5469

[9] Toward a Possibility To Exchange CO2 and CH4 in sI Clathrate Hydrates [J].

Glavatskiy, K. S. ;

Vlugt, T. J. H. ;

Kjelstrup, S. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (12) :3745-3753

[10] Gas hydrate equilibria for CO2-N2 and CO2-CH4 gas mixtures-Experimental studies and thermodynamic modelling [J].

Herri, J. -M. ;

Bouchemoua, A. ;

Kwaterski, M. ;

Fezoua, A. ;

Ouabbas, Y. ;

Cameirao, A. .

FLUID PHASE EQUILIBRIA, 2011, 301 (02) :171-190

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