摘要
The presence of SO_(2) display significant effect on the mercury(Hg) adsorption ability of carbon-based sorbent. Yet the adsorption and oxidation of SO_(2) 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 SO_(2) and their effects on Hg adsorption on carbon was detailed examined by the density functional theory. The results show that SO_(2) can be oxidized into SO_(2) by oxygen group on carbon surface. Both C-SO_(2) and C-SO_(2)can improve Hg adsorption on carbon site, while the promotive effect of C-SO_(2) is stronger than C-SO_(2). 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 SO_(2) adsorption is more active for Hg adsorption than the groups generated by SO_(2).
基金
supported by the National Natural Science Foundation of China (No. 51722407 )
the Science and Technology Project of Hunan Province (No. 2019RS3006)
the Project of Innovation-driven Plan in Central South University (No. 20180018050001)。
