Insight into the adsorption mechanisms of CH4, CO2, and H2O molecules on illite (001) surfaces: A first-principles study
Suyu Yang, Beibei Zhang, Xiao-Fan Zheng, Guohui Chen, Yiwen Ju, Bozhen Chen
Topics & Concepts
AdsorptionIlliteMoleculeMaterials scienceDensity functional theoryChemical physicsOil shaleSorptionHydrogen bondPhysical chemistryComputational chemistryClay mineralsMineralogyChemistryOrganic chemistryGeologyPaleontologyAtmospheric and Environmental Gas DynamicsHydrocarbon exploration and reservoir analysisPhase Equilibria and Thermodynamics