Identifying the function of activated carbon surface chemical properties in the removability of two common odor...

In this study, the adsorption capacities of two common odor compounds, 2-methylisoborneol (2-MIB) and dimethyl disulfide (DMDS), onto nine common types of powdered activated carbon (PAC) were comprehensively compared to screen the critical surface chemical properties affecting the adsorption performance. The results showed that the adsorption capacities of all the PACs for DMDS were generally lower than those for 2-MIB. The Spearman's rank correlation analysis indicated that the adsorption capacity for 2-MIB did not have any correlation with the PAC surface sites, while the DMDS adsorption capacity was positively related to the number of basic sites. The effect of the PAC basic sites on the DMDS adsorption was further verified by density functional theory (DFT) calculation in two adsorption modes (facial mode and edge mode). The graphene structure in the edge mode was the most favorable for DMDS adsorption with the lowest adsorption enthalpy, followed by the ketone-doped structure under the facial mode. An independent gradient model indicated that van der Waals forces were dominant in the DMDS adsorption. Moreover, thermal modification was conducted to further prove the relationship between the basic sites and the DMDS adsorption. After thermal modification, the PAC with more basic sites and graphene structures was found to be more effective for DMDS adsorption. Overall, this study could offer guidance for water treatment plants with respect to the selection of PAC to solve the odor problems caused by various compounds (e.g., DMDS or 2-MIB), and the modification of PAC, aiming at more efficient odor removal.