The widespread nanopores, diverse minerals, and varying water saturation in shale reservoirs complicate the mechanism analysis and performance prediction of CO2 enhanced oil recovery (CO2-EOR) and CO2 storage (CS) in hydrated nanopores. Therefore, molecular dynamics methods were used to simulate the process of CO2 replacing shale oil in hydrated nanopores of inorganic, organic and composite minerals. Importantly, the effects of mineral type, temperature, pressure and water content on CO2-EOR and CS performances in hydrated nanopores were analyzed, and the CO2-EOR mechanisms of dissolution, extraction, viscosity reduction, miscibility and competitive adsorption were revealed. The results show that water in illite, kerogen, and composite nanopores are distributed in the forms of water films, water clusters (films), and water columns, respectively. The replacement efficiency of shale oil in three types of nanopores is improved with increased water content but reduced in kerogen nanopores under high water content. Water is not conducive to the diffusion and viscosity reduction of oil in nanopores, but the miscibility and competitive adsorption of CO2 and oil are improved. The replacement efficiency is positively correlated with temperature and pressure. The increasing temperature promotes diffusion and viscosity reduction of oil and competitive adsorption between CO2 and oil in hydrated nanopores, and increasing pressure promotes miscibility and competitive adsorption. Water columns in kerogen and composite nanopores reduce the CS performance, while thin water films in illite nanopores improve it. Moreover, an excellent CS rate can be achieved at high temperatures and pressures, but the high temperature is not conducive to CS stability. This study provides a theoretical basis for CO2 injection to improve oil production and carbon storage performance in hydrated shale reservoirs and contributes to the optimization of CO2 injection schemes.
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