摘要
To better understand the role of the-NH_(2)group in adsorption process of phenolic wastewaters,NH_(2)-functionalized MIL-53(Al)composites with activated carbon(NH_(2)-M(Al)@(B)AC)were prepared.The results showed that the-NH_(2)group could increase the mesopore volume for composites,which promotes mass transfer and full utilization of active sites,because hierarchical mesopore structure makes the adsorbent easier to enter the internal adsorption sites.Furthermore,the introduction of the-NH_(2)group can improve the adsorption capacity,decrease the activation energy,and enhance the interaction between the adsorbent and p-nitrophenol,demonstrating that the-NH_(2)group plays a crucial role in the adsorption of p-nitrophenol.The density functional theory calculation results show that the H-bond interaction between the-NH_(2)group in the adsorbent and the-NO_(2)in the p-nitrophenol(adsorption energy of -35.5 kJ·mol^(-1)),and base-acid interaction between the primary-NH_(2)group in the adsorbent and the acidic-OH group in the p-nitrophenol(adsorption energy of -27.3 kJ·mol^(-1))are predominant mechanisms for adsorption in terms of the NH_(2)-functionalized adsorbent.Both NH_(2)-functionalized M(Al)@AC and M(Al)@BAC composites exhibited higher p-nitrophenol adsorption capacity than corresponding nonfunctionalized composites.Among the composites,the NH_(2)-M(Al)@BAC had the highest p-nitrophenol adsorption capacity of 474 mg·g^(-1).
基金
supported by the National Natural Science Foundation of China(22008134)。
