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Microscopic mechanisms of water-coal interactions on methane adsorption: A combined DFT and MD study

Huan Zhang, Chuang Song, Shuangli Du, Yitao Li, Hongbao Zhao, Tao Wang

2025Chemical Engineering Science12 citationsDOI

Topics & Concepts

AdsorptionMethaneCoalChemical engineeringChemistryEnvironmental chemistryMaterials sciencePhysical chemistryEngineeringOrganic chemistryCoal Properties and UtilizationHydrocarbon exploration and reservoir analysisMethane Hydrates and Related Phenomena
Microscopic mechanisms of water-coal interactions on methane adsorption: A combined DFT and MD study | Litcius