Journal
FUEL
Volume 273, Issue -, Pages -Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.fuel.2020.117599
Keywords
Molecular Dynamics Simulation; Adsorption; CO2 Sequestration; Diffusion; Coal oxidation
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Funding
- National Natural Science Foundation of China [51776058]
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The injection of CO2 to enhance coalbed methane recovery is a promising way for carbon dioxide sequestration and exploitation of coal-bed methane. In this work, molecular simulation is conduced to investigate the adsorption and diffusion behaviors of carbon dioxide and methane in coal seams. The effect of coal oxidation is further evaluated. The adsorption amount and isosteric heat of CH4 and CO2 in mono-component and binary mixture are compared. The results reveal that the partial oxidation of coal will weaken the carbon dioxide adsorption capacity and isosteric heat. In contrast to the mono-component, the CH4 adsorption in a binary mixture is greatly reduced owing to the presence of CO2 Meanwhile, the effect of coal oxidation on gas diffusion is also examined. The results demonstrate that the coal oxidation will promote the gas diffusion.
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