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CO2 enhanced coal-bed methane recovery (CO2-ECBM) project has become the most promising method for carbon sequestration and natural gas recovery. The diffusion properties of carbon dioxide (CO2) and methane (CH4) in coal lie at the heart for the project. Quantitatively understanding the diffusion, especially the transport diffusion in microporous coal, remains challenging. In this paper, based on...
Based on the Wiser Coal Model, the process of coal hydropyrolysis was studied by molecular dynamics simulations with reactive force field (ReaxFF). The gas production and organic sulfur removal were analyzed. The related reaction mechanism and factors were discussed. It turns out that hydropyrolysis, relative to pyrolysis, could increase the gas yield and improve the removal rate of organic sulfur...
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