CO2 adsorption-assisted CH4 desorption on carbon models of coal surface: A DFT study

Schematic drawings of three co-adsorption processes were supplied. The energy changes showed that those processes occurred spontaneously, demonstrating that the CO2 adsorption assisted CH4 desorption (AAD) in co-adsorption system and could be used as a theoretical basis for CO2-ECBM.