Molecular simulation of low concentration SO2 and acetone adsorption on activated carbon

With the decrease of line-width of integrated circuits, airborne molecular contaminants (AMC) in electronic industry cleanrooms show the characteristics of low concentration and many kinds. Under the condition of extremely low partial pressure,the competitive adsorption mechanism of AMC in activated carbon-based chemical filters is not clear. In this article, the adsorption process of low concentration SO2and acetone on activated carbon at different temperatures and relative humidities is simulated based on grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) methods.The results show that the adsorption capacity of SO2and acetone on activated carbon decreases with the increase of temperature, but does not change significantly with the increase of relative humidity. The initial adsorption capacity of activated carbon is not affected by the simultaneous presence of SO2and acetone.