Analyzing adsorption characteristics of CO2, N2 and H2O in MCM-41 silica by molecular simulation

- The GCMC simulation of CO2, N2, and H2O adsorption in MCM-41 has been presented.
- Pressure and temperature effects on the adsorption characteristics are discussed.
- The results demonstrate three mechanisms of gas molecules adsorbed in MCM-41.
- The applicability of adsorbing H2O by MCM-41 is presented.