Adsorption/desorption characteristics of methane on moist shale under high temperature and pressure: an experimental and molecular simulation study.

The adsorption/desorption characteristics of methane (CH4) on moist shale are of great significance for shale gas exploration and production. However, the influence of moisture on CH4 adsorption/desorption under high temperature and pressure conditions, which is consistent to shale reservoirs (burial depths about 3500-4500 m) in China, remained unclear. In this study, quantitative analysis toward moisture dependence of CH4 adsorption/desorption capability on shales was investigated through experimentation and molecular dynamics simulation under moisture contents of 0%, 0.204%, 0.445%, 0.677%, and 0.965%. Results show that with increasing moisture content, the isothermal adsorption capacity of CH4 decrease, and it reaches 36.80% and 10.00% at moisture content of 0.965% in experimentation and simulation, respectively. Simultaneously, the hysteresis index of CH4 desorption increase by 19.64% and 4.52%. The role of water molecules hindering CH4 desorption under low and high moisture content was clarified. At low moisture content, water molecules are mainly adsorbed on the pore walls, thereby reducing the size of the pore throat and hindering CH4 transport pathways. At high moisture content, many water molecules escape from the original adsorption sites and form clusters in the middle of the pores, blocking the pore throats. Meanwhile, CH4 is re-adsorbed onto the exposed adsorption sites of water, which leads to CH4 desorption hysteresis. The results provide valuable insights for shale gas exploration and production under practical water-bearing shale reservoir conditions.

Molecular dynamics simulation on the displacement behaviour of crude oil by CO2/CH4 mixtures on a silica surface.

Produced gas re-injection is an effective and eco-friendly approach for enhancing oil recovery from shale oil reservoirs. However, the interactions between different gas phase components, and the oil phase and rocks are still unclear during the re-injection process. This study aims to investigate the potential of produced gas re-injection, particularly focusing on the effects of methane (CH4) content in the produced gas on shale oil displacement. Molecular dynamics simulations were employed to analyze the interactions between gas, oil, and matrix phases with different CH4 proportions (0%, 25%, 50%, and 100%), alkanes and under various burial depth. Results show that a 25% CH4 content in the produced gas achieves almost the same displacement effect as pure carbon dioxide (CO2) injection. However, when the CH4 content increases to 50% and 100%, the interaction between gas and quartz becomes insufficient to effectively isolate oil from quartz, causing only expansion and slight dispersion. Interestingly, the presence of CH4 has a synergistic effect on CO2, facilitating the diffusion of CO2 into the oil film. During the gas stripping process, CO2 is the main factor separating oil from quartz, while CH4 mainly contributes to oil expansion. In addition, for crude oil containing a large amount of light alkanes, extracting light components through mixed gas may be more effective than pure CO2. This study offers valuable insights for applications of produced gas re-injection to promote shale oil recovery.