The enhanced separation effect of synthesized hydroxyapatite incorporated with ethylenediamine-tetramethylene phosphonic acid for Zn2+ and Co2+ ions and the deep insight into mechanism

Abstract

Hydroxyapatite (HAP) incorporated with ethylenediaminetetramethylene phosphonic acid (EDTMP) was prepared and used for the separation of the toxic Zn2+ and Co2+ heavy metal ions in an aqueous solution. When the doping amount of EDTMP was 20%, the adsorption capacity of 20ED-HAP composite for Zn2+ and Co2+ reached 229.5 mg/g and 162.4 mg/g, which was 11.0 times and 11.8 times that of synthesized HAP in the absence of EDTMP. The effects of different concentrations of common coexisting ions such as Na+, K+, Ca2+, and Mg2+ were explored, and the removal rate of Co2+ or Zn2+ in a simulated actual water environment was also investigated. The removal of cobalt ions by EDTMP-HAP complex included ion exchange and surface complexation mechanisms. In addition to the above two mechanisms, the separation of zinc ions involved the dissolution precipitation mechanism with the formation of CaZn2(PO4)2·2H2O. Moreover, the affinity between EDTMP and HAP was revealed via Independent Gradient Model based on the Hirshfeld partition of molecular density (IGMH) and Hirshfeld surface analysis. Meanwhile, the interaction mechanism between EDTMP and Co2+ or Zn2+ was explored in depth through Multiwfn wavefunction analysis. The prepared adsorbent could be used as a low-cost potential adsorbent for toxic Zn2+ and Co2+ ions.