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

Belosludov, V. R.; Bozhko, Yu. Yu.; Субботин, О. С.; Belosludov, Rodion V.; Zhdanov, Ravil К.; Gets, Kirill V.; Kawazoe, Yoshiyuki

doi:10.3390/molecules23123336

Cited by 39 publications

(11 citation statements)

References 47 publications

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“…As the proportion of CO 2 in the mixed gas increased, the diminishment in CO 2 concentration within the gas phase became more pronounced, yet over time, N 2 depletion also became more conspicuous. This intricate interplay elucidates the differential capture kinetics of CO 2 and N 2 within the hydrate structure [ 36 , 37 , 38 ], ultimately impacting separation efficiency.…”

Section: Resultsmentioning

confidence: 99%

Selective CO2 Capture from CO2/N2 Gas Mixtures Utilizing Tetrabutylammonium Fluoride Hydrates

Kim,

Ahn

2024

Molecules

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Gas hydrates, a type of inclusion compound capable of trapping gas molecules within a lattice structure composed of water molecules, are gaining attention as an environmentally benign gas storage or separation platform. In general, the formation of gas hydrates from water requires high-pressure and low-temperature conditions, resulting in significant energy consumption. In this study, tetrabutylammonium fluoride (TBAF) was utilized as a thermodynamic promoter forming a semi-clathrate-type hydrate, enabling gas capture or separation at room temperature. Those TBAF hydrate systems were explored to check their capability of CO2 separation from flue gas, the mixture of CO2 and N2 gases. The formation rates and gas storage capacities of TBAF hydrates were systematically investigated under various concentrations of CO2, and they presented selective CO2 capture behavior during the hydrate formation process. The maximum gas storage capacities were achieved at 2.36 and 2.38 mmol/mol for TBAF·29.7 H2O and TBAF·32.8 H2O hydrate, respectively, after the complete enclathration of the feed gas of CO2 (80%) + N2 (20%). This study provides sufficient data to support the feasibility of TBAF hydrate systems to be applied to CO2 separation from CO2/N2 gas mixtures based on their CO2 selectivity.

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Section: Resultsmentioning

confidence: 99%

Selective CO2 Capture from CO2/N2 Gas Mixtures Utilizing Tetrabutylammonium Fluoride Hydrates

Kim,

Ahn

2024

Molecules

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“…Other parameters were set original [19]. The CO 2 molecules were considered as single particle and their parameters were σ = 4.0 Å and the energy parameter ε = 1.5798 kJ mol −1 [45][46][47] .…”

Section: Calculation Detailsmentioning

confidence: 99%

Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation

Gets

Belosludov

Zhdanov

et al. 2020

Applied Surface Science

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The object of this study is the kinetic process of solid-liquid first-order phase transitionmelting of carbon dioxide CS-I hydrate with various cavity occupation ratios. The work was done within a framework of study on the local structure of water molecules. These include the time depending change of the short-range order at temperatures close to the melting point and comparison with hexagonal ice structure. Using molecular dynamics method, dependencies of the internal energy of the studied systems on the time of heating were found. Jumps in the internal energy of solids in the range at 275-300 K indicate a phase transition. The study of oxygen-oxygen radial distribution and hydrogen-oxygen-oxygen mutual orientation angles between molecules detached at no more than 3.2 Å allowed to find the H-bond coordination number of all molecules and full number of H-bonds and showed the instant (less than 1 ns) reorganization of short-range order of all molecules. The structure analysis of every neighbor water molecules pairs showed the ~10-15% decrease of H-bond number after the melting whereas all molecules form single long-range hydrogen bond network. The analysis of hydrogen bond network showed the minor changes in the H-bond interaction energy at solid-liquid phase transition. KeywordsGas hydrate, phase transition, molecular dynamics, hydrogen bond network, short-range order. Recently, the molecular dynamic (MD) studies of gas hydrate described the dissociation processes by

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“…Now there are no technologies for industrial synthesis of hydrates. Despite this, many scientists are working on the study of the physicochemical properties of hydrates and the thermodynamic conditions of their formation [5][6][7][8][9]. Many works study the synthesis of gas hydrates under various conditions including the addition of promoters [10][11][12][13][14][15][16], as well as their dissociation, e.g., during combustion [17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Modeling of Freon 134a Gas Hydrate Synthesis via Boiling and Condensation of Gas in a Volume of Water

Meleshkin

Shkoldina

2021

J. Engin. Thermophys.

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The paper presents a theoretical assessment of the hydration mass increase with time in the gas hydrate synthesis based on the self-organizing cyclic process of boiling and condensation of the hydrate-forming gas in a volume of water. Data were obtained on the distribution of the bubbles released because of boiling of the liquefied gas at three different points in time in a real experiment. The average rate of increase in the hydration mass was determined. The hydration gain was simulated for an experiment 30 minutes long. The data obtained were compared with experimental results.

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

Cited by 39 publications

References 47 publications

Selective CO2 Capture from CO2/N2 Gas Mixtures Utilizing Tetrabutylammonium Fluoride Hydrates

Selective CO2 Capture from CO2/N2 Gas Mixtures Utilizing Tetrabutylammonium Fluoride Hydrates

Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation

Modeling of Freon 134a Gas Hydrate Synthesis via Boiling and Condensation of Gas in a Volume of Water

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