Formation of sulfur oxide groups by SO2 and their roles in mercury adsorption on carbon-based materials

The presence of SO2 display significant effect on the mercury (Hg) adsorption ability of carbon-based sorbent. Yet the adsorption and oxidation of SO2 on carbon with oxygen group, as well as the roles of different sulfur oxide groups in Hg adsorption have heretofore been unclear. The formation of sulfur oxide groups by SO2 and their effects on Hg adsorption on carbon was detailed examined by the density functional theory. The results show that SO2 can be oxidized into SO3 by oxygen group on carbon surface. Both C-SO2 and C-SO3 can improve Hg adsorption on carbon site, while the promotive effect of C-SO2 is stronger than C-SO3. Electron density difference analyses reveal that sulfur oxide groups enhance the charge transfer ability of surface unsaturated carbon atom, thereby improving Hg adsorption. The experimental results confirm that surface active groups formed by SO2 adsorption is more active for Hg adsorption than the groups generated by SO3.