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Scientific Journal of Frontier Chemical Development

ISSN Print:2167-163X

ISSN Online:2167-1648


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Decomposition and Diffusion of Methane Hydrate in Porous Medium Molecular Dynamics Simulation

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Author: Longlong Li, Ping Guo

Abstract: This paper uses molecular dynamics simulation of methane hydrate decomposition and diffusion in porous media. This paper examines microscopic characteristics parameters of hydrate in porous media compared with pure hydrate, such as: density distribution, the radial distribution function(RDF), the diffusion coefficient and the mean square displacement(MSD) structural and dynamics properties of hydrate. We use NVT ensemble and NPT ensemble study decomposition and diffusion effects of methane hydrate in the silica surface. The purpose of this paper is to investigate the dissociation and diffusion mechanism of gas hydrates. Research showed that in the porous medium dissociation rate of hydrate is higher than the pure hydrate. So that under the specific pressure and temperature condition, the driving force of gas hydrate dissociation in porous media will be higher than that of pure methane hydrate.

Keywords: Methane Hydrate; Molecular Dynamics; Diffusion Coefficient; in Porous Media


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