期刊
GELS
卷 9, 期 10, 页码 -出版社
MDPI
DOI: 10.3390/gels9100781
关键词
grafted hydrogel; groundwater; ammonia and iron removal efficiency; DFT; MEP; binding energy
Current research focuses on the removal of iron and ammonia from groundwater using a poly acrylic-poly acrylamide hydrogel grafted with 3-chloroaniline. The effects of agitation time, dosage, and adsorbent temperature on the removal process sensitivity were investigated. The hydrogel showed efficient regeneration and selective removal of iron and ammonia.
Current research is moving towards iron and ammonia elimination from groundwater. Here, we are using a poly acrylic-poly acrylamide hydrogel that is grafted with 3-chloroaniline. This copolymer was synthesized by addition polymerization technique. The effects of agitation time, dosage and adsorbent temperature on the removal process sensitivity were investigated. The copolymer was described experientially and theoretically. Isothermal kinetic adsorption models are discussed. This hydrogel could be regenerated efficiently (98.3% removal of iron and 100% removal of ammonia). The density functional theory (DFT) method, using B3LYP/6-311G(d,p), and the LANL2DZ level of the theory were managed to investigate the stationary states of the grafted copolymer and the complexation energy of the hydrogel with the studied cations. DFT has been used to investigate the Natural Bond Orbital (NBO) properties to locate the most negative centers on the hydrogel. The calculated complexation energy showed hydrogel selectivity with regard to the studied cations.
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