Depressurization-induced production of shale gas in organic-inorganic shale nanopores: A kinetic Monte Carlo simulation

Methane gas production from unconventional reservoirs, such as shale formations, is in high demand due to the global energy needs. However, maximizing production remains challenging due to the ultra-tight porosity, heterogeneity, and complex nature of shale rocks under high pressure. To address this issue, we employ a novel kinetic Monte Carlo (kMC) simulation to investigate the molecular-level behavior of shale gas in both homogeneous and heterogeneous organic-inorganic shale nanopores. This approach not only provides accurate computations of shale gas under high pressure but also aims to uncover the mechanisms of shale gas storage at reservoir pressure and production during pressure drawdown. Our findings indicate that organic shale ultramicropores (pore width < 0.7 nm) contribute significantly to the highest storage capacity of shale gas but pose challenges for production capacity solely through depressurization. In contrast, the free gas zone is the primary source of shale gas production from mesoporous shales, which has a high recovery efficiency but a low production capacity due to less pronounced interaction effects from the shale surface. The heterogeneous nature of shale surfaces leads to asymmetric distributions of density and potential energy across pore widths, with methane molecules favoring locations near organic pore walls due to stronger attractive interactions, while inorganic pore walls facilitate shale gas migration. Interestingly, the optimal ultramicropore size yields the highest recovery efficiency of shale gas via depressurization, characterized by a transition from near-commensurate to incommensurate molecular packing between reservoir and post-drawdown pressures. Based on these detailed molecular simulations, further research is necessary to develop innovative techniques for enhancing shale gas recovery, especially in micropores.