Adsorption of arsenate on Fe-(hydr)oxide
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Authors
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Publisher
Institute of Physics Publishing
Facultad de Ciencias Básicas
Facultad de Ciencias Básicas
Abstract
Description
Adsorption using metal oxide materials has been demonstrated to be an effective technique to remove hazardous materials from water, due to its easy operation, low cost, and high efficiency. The high number of oxyanions in aquatic ecosystems causes serious pollution problems. Removal of arsenate (H2AsO4 -), is one of the major concerns, since it is a highly toxic anion for life. Within the metal oxides, the iron oxide is considered as a suitable material for the elimination of oxyanions. The adsorption of H2AsO4 - on Fe-(hydr)oxide is through the formation of inner or outer sphere complexes. In this work, through computational methods, a complete characterization of the adsorbed surface complexes was performed. Three different pH conditions were simulated (acidic, intermediate and basic), and it was found that, the thermodynamic favourability of the different adsorbed complexes was directly related to the pH. Monodentate complex (MM1) was the most thermodynamically favourable complex with an adsorption energy of -96.0kJ/mol under intermediate pH conditions. © Published under licence by IOP Publishing Ltd.
Keywords
Adsorption; Aquatic ecosystems; Characterization; Chemicals removal (water treatment); Driers (materials); Hazardous materials; Hydraulic servomechanisms; Metals; pH; Adsorption energies; High-efficiency; Metal oxide materials; Metal oxides; Monodentate complexes; Outer-sphere complexes; Pollution problems; Surface complex; Iron oxides