Theoretical Study of Formation of Hydrates from High-Concentration Metastable Solution of Carbon Dioxide in Water at Various Gas Concentrations

KV Gets and RK Zhdanov and YY Bozhko and OS Subbotin and VR Belosludov, JOURNAL OF ENGINEERING THERMOPHYSICS, 32, 502-507 (2023).

DOI: 10.1134/S1810232823030074

This work presents a study of a range of carbon dioxide concentrations at which gas hydrate growth is observed in a homogeneous nonequilibrium solution. The study was done by the method of molecular dynamics. Calculation of the potential energy, tetrahedral order parameter F-3 and the number of hydrate cavities has shown that a steady growth occurs at carbon dioxide concentrations of 4.94-12.20 mol.%. At lower concentrations, there are no significant changes in the structure of the solution over the considered time interval. At higher concentrations of carbon dioxide in a supersaturated solution, separation into the gas phase and saturated solution is observed.

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