Shale Gas Nanofluid in the Curved Carbon Nanotube: A Molecular Dynamics Simulation Study

Abstract

Curved nanochannels are prevalent in porous and tortuous materials, with shale matrices being a noteworthy example. The tortuosity of shale matrices significantly influences the behavior of shale gas, holding crucial implications for gas recovery engineering. In this study, we employ molecular dynamics simulation (MD) to investigate the impact of curvature and radius in tortuous nanochannel formed by a curved singlewalled carbon nanotube (SWCNT) on the adsorption and transport properties of methane gas fluid. Our findings reveal that the inner half surface of the SWCNT, characterized by negative curvature, exhibits enhanced methane adsorption. Methane in straighter and narrower channels displays higher flow velocities, while wider channels exhibit higher flow flux. The nonzero flow velocity alters adsorption strength, causing the outer half to surpass the inner half. Tangent and vertical velocities of the flow are heterogeneously distributed in the channel, with the outer half having higher tangent velocities. Additionally, a vertical velocity pulse near the entrance induces turbulent vortex flow, slowing down the tangent flow velocity. This research contributes to a deeper understanding of shale gas properties in matrices with bent and curved channels, offering insights into nanofluids in carbon nanotubes and porous media featuring curved nanochannels.