Molecular simulation of N2 and CO2 injection into a coal model containing adsorbed methane at different temperatures

To research the dynamic mechanism of nitrogen and carbon dioxide displacement of methane, we used the grand canonical Monte Carlo (GCMC) simulation method to determine the lowest energy coal model containing adsorbed methane. The desorption behavior of CH4 after the injection of N2 and CO2 at different temperatures was studied. Results show that CO2 and N2 were mainly used to drive off methane gas by occupying adsorption sites. The total energy...