Effect of C-Cl functional groups on adsorption and desorption of elemental mercury over an ordered mesoporous carbon modified with C-Cl functional groups.

• A novel Hg0 removal adsorbent OMC-Cl was synthesized. • The presence of C-Cl functional groups exerts inhibitory effects on the formation of HgO and HgS. • DFT reveals the effect mechanism of C-Cl functional groups. • OMC-Cl exhibits excellent capacity in adsorption–desorption cycles. Wet desorption presents an environmentally sustainable approach for the disposal of deactivated elemental mercury (Hg0) removal adsorbents. However, the prevalence of insoluble Hg compounds in the adsorption products poses a significant impediment to the wet desorption process. In this work, an ordered mesoporous carbon modified with C-Cl functional groups (OMC-Cl) was synthesized via the evaporation-induced self-assembly (EISA) method. It has a high specific surface area (∼630 m2/g), large pore volume (∼0.64 cm3/g), and uniform pore size (∼22.0 nm). The presence of C-Cl functional groups provides a remarkable adsorption capacity to the adsorbent, exhibiting high adsorption efficiency in various adsorption atmospheres (96.8 % in pure N 2 ; 91.7 % in N 2 + H 2 S) and promoting the prevalence of soluble HgCl 2 in the adsorption product. Density functional theory analysis has elucidated that the C-Cl functional groups exerted inhibitory effects on the formation of HgO and HgS mainly by weakening the adsorption process of Hg0 on C = O and C-S. The desorption efficiencies of adsorption products in the above atmospheres in HCl solution (0.5 mol/L) achieved 95.4 % and 81.3 %, respectively. The high concentration of H+ ions serves to prevent the re-adsorption of Hg2+ by the -SH generated during the adsorption process. Furthermore, the adsorbent desorbed in HCl solution manifests substantial potential for recyclability. This study introduces a novel approach for efficient wet desorption in terms of designing active sites to modulate the adsorption products and pore structures to facilitate mass transfer. [ABSTRACT FROM AUTHOR]