Supercritical Methane Diffusion in Shale Nanopores: Effects of Pressure, Mineral Types, and Moisture Content

Using molecular dynamics, we simulated the diffusion behavior of supercritical methane in shale nanopores composed of different matrix mineral types (organic matter, clay, and calcite). We studied the effects of pore size, pore pressure, and moisture content on the diffusion process. Our results show that confined methane molecules diffuse more rapidly with increases in pore size and temperature but diffuse slowly with an increase in pressure. Anisotropic diffusion behavior is also observed in directions parallel and perpendicular to the basal surfaces of nanoslits. We also found that mineral types composing the pore walls have a prominent effect on gas diffusion. The perfectly ordered structure and ultrasmooth surface of organic matter facilitate the transport of methane in dry pores, even though its adsorption capability is much stronger than that of inorganic minerals. Moisture inhibits methane diffusion, but this adverse effect is more evident in organic pores because water migrates in the form of clu...

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