CH4 adsorption and diffusion characteristics in stress-loaded coal based on molecular simulation

Hai-fei Lin,Hang Long,Shu-gang Li,Yang Bai,Tong Xiao,Ao-li Qin

Fuel（2023）

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摘要

•The micropore and mesopore models of bituminous coal were established.•The micromechanical properties of coal molecule unit cells with different pore sizes were studied.•The adsorption and diffusion characteristics of coal cells under different deformation characteristics were different.•Diffusion types of CH4 in coal slits under different stress were clarified.

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关键词

Molecular simulation,Micro- and meso-porous slit models,Stress-strain characteristics,Adsorption characteristics of CH4,Diffusion coefficient and type

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