A novel poly (amic-acid) modified single-walled carbon nanohorns adsorbent for efficient removal of uranium (VI) from aqueous solutions and DFT study

Abstract

Poly(amic-acid) modified single-walled carbon nanohorns (PAA/SWCNH-COOH) contained dual-functional groups (amide and carboxyl) were synthesized by in-situ polymerization and used for the elimination of uranium (VI). It was found that the adsorption capacity of SWCNH-COOH increased significantly after grafting PAA chains, and the theoretical monolayer adsorption capacity of PAA/SWCNH-COOH could reach 216.0 mg/g. The adsorption capacity of this material could remain up to 90% of the initial value after 5 times of reuse. Moreover, PAA/SWCNH-COOH has an excellent adsorption selectivity, which could be attributed to the synergistic adsorption effects between amide and carboxyl groups. To further study the interaction mechanism between uranium ions and the adsorbents, the quantum chemical calculations were performed using DFT method. The simulation results show that both amide and carboxyl groups have a strong interaction with uranium ions, which ensures the high adsorption capacity of this material. This research proved that the PAA/SWCNH-COOH is a promising adsorption material for removing uranium from wastewater and it also sheds a light on the interaction mechanism between bifunctional adsorbents and uranium ions.