Novel Grafted Hydrogel for Iron and Ammonia Removal from Groundwater: A Synthesis and Computational Chemistry Study

Current research is moving towards iron and ammonia elimination from groundwater. Here, we are using a poly acrylic–poly acrylamide hydrogel that grafted with 3-chloroaniline. This copolymer was synthesized by addition polymerization technique. The effects of agitation time, dosage adsorbent temperature on the removal process sensitivity were investigated. described experientially theoretically. Isothermal kinetic adsorption models discussed. could be regenerated efficiently (98.3% 100% ammonia). density functional theory (DFT) method, B3LYP/6-311G(d,p), LANL2DZ level managed to investigate stationary states complexation energy studied cations. DFT has been used Natural Bond Orbital (NBO) properties locate most negative centers hydrogel. calculated showed selectivity regard