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CO 2  sequestration (CS) into the shale formations can reduce not only carbon emissions but also enhance gas recovery (EGR). The adsorption and diffusion behaviour of CO 2  and CH 4  on kerogens with different maturity play a crucial role in CS-EGR as they determine the efficiency of CO 2  storage and energy recovery. In this work, GCMC and MD simulations were performed to investigate the adsorption and diffusion behaviour of CO 2  and CH 4  on kerogen models at different grades of maturity. It indicated that, in the same maturity, the CO 2  adsorption capacity was more significant than that of CH 4 . With increasing maturity, the adsorption capacity and diffusion rate increased. With the increase of water contents, the swelling ratio of kerogens increased, and the adsorption capacity and the diffusion coefficients of CH 4  and CO 2  decreased. However, the adsorption selectivity of CO 2  over CH 4  significantly increased. H 2 O and CO 2  molecules both preferred to adsorb on functional groups of oxygen, nitrogen and sulfur. This study consolidated our hypothesis that an injected CO 2  to shale gas and oil formations contributed positively to enhanced energy recovery owing to the difference in adsorption and diffusion behaviour of CH 4  and CO 2  in kerogens with different maturity in gas and oil reservoirs.

Molecular interactions of CO 2 and CH 4 and their adsorption behaviour in kerogens with different grades of maturity