Flow of methane in shale nanopores at low and high pressure by molecular dynamics simulations

Flow in shale nanopores may be vastly different from that in the conventional permeable media. In large pores and fractures, flow is governed by viscosity and pressure-driven. Convection describes the process. Pores in some shale media are in nanometer range. At this scale, continuum flow mechanism may not apply. Knudsen diffusion and hydrodynamic expressions such as the Hagen-Poiseuille equation and their modifications have been used to compute flow in nanopores. Both approaches may have drawbacks and can significantly underestimate molecular flux in nanopores. In this work, we use the dual control volume-grand canonical molecular dynamics simulations to investigate methane flow in carbon nanopores at low and high pressure conditions. Our simulations reveal that methane flow in a slit pore width of 1-4 nm can be more than one order of magnitude greater than that from Knudsen diffusion at low pressure and the Hagen-Poiseuille equation at high pressure. Knudsen diffusion and Hagen-Poiseuille equations do not account for surface adsorption and mobility of the adsorbed molecules, and inhomogeneous fluid density distributions. Mobility of molecules in the adsorbed layers significantly increases molecular flux. Molecular velocity profiles in nanopores deviate significantly from the Navier-Stokes hydrodynamic predictions. Our molecular simulation results are in agreement with the enhanced flow measurements in carbon nanotubes.