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- W2413413746 abstract "Abstract In this paper, we explored the recovery dynamics of confined methane (CH 4 ) with water (H 2 O), carbon dioxide (CO 2 ) and nitrogen (N 2 ), by performing molecular dynamics simulations. Through theoretical analysis, we obtained a simple yet effective method to calculate the stress caused by adsorption/desorption. By comparing the adsorption energies and configurations of CH 4 , H 2 O, CO 2 and N 2 on graphene surface, it indicated that CO 2 is the best candidate in displacing CH 4 . The energy barriers of displacing one adsorbed CH 4 molecule by CO 2 , H 2 O and N 2 were found to depend on the displacement angle, and that vertical displacement costs the lowest energy. The energy barriers of displacing one molecule in an adsorbed CH 4 layer under different conditions were also obtained. Furthermore, displacement efficiencies of the adsorbed CH 4 confined in the carbon nanotube were compared. The displacement efficiency is in the order of CO 2 >N 2 >H 2 O. Our study may help to reveal the underlying mechanisms of adsorption/desorption phenomena, understand the shale gas recovery from the atomic level and provide new idea in shale gas exploitation technology." @default.
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- W2413413746 date "2016-12-01" @default.
- W2413413746 modified "2023-10-14" @default.
- W2413413746 title "Which is the most efficient candidate for the recovery of confined methane: Water, carbon dioxide or nitrogen?" @default.
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- W2413413746 doi "https://doi.org/10.1016/j.eml.2016.05.014" @default.
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