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Open AccessArticle

Influence of N2 on Formation Conditions and Guest Distribution of Mixed CO2 + CH4 Gas Hydrates

1
Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090, Russia
2
Department of Physics, Novosibirsk State University, Pirogova Str. 2, Novosibirsk 630090, Russia
3
Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan
4
New Industry Hatchery Center, Tohoku University, Sendai 980-8579, Japan
5
SRM institute of Science and Technology, Kattankulathur 603203, India
*
Author to whom correspondence should be addressed.
Molecules 2018, 23(12), 3336; https://doi.org/10.3390/molecules23123336
Received: 15 November 2018 / Revised: 6 December 2018 / Accepted: 12 December 2018 / Published: 15 December 2018
In this contribution, a method based on a solid solution theory of clathrate hydrate for multiple cage occupancy, host lattice relaxation, and guest-guest interactions is presented to estimate hydrate formation conditions of binary and ternary gas mixtures. We performed molecular modeling of the structure, guest distribution, and hydrate formation conditions for the CO2 + CH4 and CO2 + CH4 + N2 gas hydrates. In all considered systems with and without N2, at high and medium content of CO2 in the gas phase, we found that CO2 was more favorable in occupying clathrate hydrate cavities than CH4 or N2. The addition of N2 to the gas phase increased the ratio concentration of CO2 in comparison with the concentration of CH4 in clathrate hydrates and made gas replacement more effective. The mole fraction of CO2 in the CO2 + CH4 + N2 gas hydrate rapidly increased with the growth of its content in the gas phase, and the formation pressure of the CO2 + CH4 + N2 gas hydrate rose in comparison to the formation pressure of the CO2 + CH4 gas hydrate. The obtained results agreed with the known experimental data for simple CH4 and CO2 gas hydrates and the mixed CO2 + CH4 gas hydrate. View Full-Text
Keywords: gas separation; lattice dynamic; mixed gas hydrates; greenhouse gases; computer modeling gas separation; lattice dynamic; mixed gas hydrates; greenhouse gases; computer modeling
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MDPI and ACS Style

Belosludov, V.R.; Bozhko, Y.Y.; Subbotin, O.S.; Belosludov, R.V.; Zhdanov, R.K.; Gets, K.V.; Kawazoe, Y. Influence of N2 on Formation Conditions and Guest Distribution of Mixed CO2 + CH4 Gas Hydrates. Molecules 2018, 23, 3336.

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