Abd El-Salam, H.M.; El Shafey, A.M.; Samadi, A.; Abdel-Latif, M.K. Novel Grafted Hydrogel for Iron and Ammonia Removal from Groundwater: A Synthesis and Computational Chemistry Study. Gels2023, 9, 781.
Abd El-Salam, H.M.; El Shafey, A.M.; Samadi, A.; Abdel-Latif, M.K. Novel Grafted Hydrogel for Iron and Ammonia Removal from Groundwater: A Synthesis and Computational Chemistry Study. Gels 2023, 9, 781.
Abd El-Salam, H.M.; El Shafey, A.M.; Samadi, A.; Abdel-Latif, M.K. Novel Grafted Hydrogel for Iron and Ammonia Removal from Groundwater: A Synthesis and Computational Chemistry Study. Gels2023, 9, 781.
Abd El-Salam, H.M.; El Shafey, A.M.; Samadi, A.; Abdel-Latif, M.K. Novel Grafted Hydrogel for Iron and Ammonia Removal from Groundwater: A Synthesis and Computational Chemistry Study. Gels 2023, 9, 781.
Abstract
Researches are moving to iron and ammonia elimination from ground water. Here, we are using poly acrylic–poly acrylamide hydrogel which grafted with 3-chloroaniline. This copolymer was synthesized by addition polymerization. Effect of agitation time, dosage and adsorbents temperature on the removal process sensitivity has been investigated. The copolymer was described experientially and theoretically. Isothermal, kinetic adsorption models and were discussed. This hydrogel could be regenerated efficiently (98.3%removal of iron and 100% removal of ammonia). Density functional theory DFT method using B3LYP/6-311G(d,p),LANL2DZ level of the theory were managed to investigate stationary states of grafted co-polymer and the complexation energy of the hydrogel with the studied cations. NBO analysis is using DFT to investigate the negative centers on the hydrogel. The complexation energy showed selectively of hydrogel to studied cations.
Keywords
Grafted hydrogel; Ground water; Ammonia and Iron removal efficiency; DFT and MEP; binding Energy
Subject
Environmental and Earth Sciences, Water Science and Technology
Copyright:
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