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Using CO 2  as an alternative working fluid to displace shale gas has been considered as a promising technology, which can not only enhance shale gas recovery but also geologically sequester CO 2  in shale reservoirs. The adsorption behaviour of CH 4  and CO 2  in shale is the key to evaluate the efficiency of CH 4  production and potential of CO 2  sequestration. In the present work, the cylindrical and slit kerogen nanopores were constructed to represent the realistic organic nanopores existing in shale matrix. The adsorption behaviours of pure CH 4  and CO 2 /CH 4  mixture were investigated by employing the grand canonical Monte Carlo method. The results indicate that the adsorption capacities of CH 4  in shale kerogen nanopores increase with the increment of pressure. However, temperature exhibits a negative impact on the gas adsorption capacity. The effects of pressure, temperature on competitive adsorption performances of CO 2 /CH 4  mixture were discussed. It is found that the adsorption capacities of CO 2  are significantly higher than that of CH 4  at various pressure and temperature conditions. Both the adsorption capacity and selectivity should be taken into consideration to determine the proper conditions in the practical project.

Molecular simulation of CH 4 and CO 2 adsorption in shale organic nanopores