Industrial & Engineering Chemistry Research · 2015 · 37 citations · 50 references
Natural SciencesChemistryEarth SciencesAnalytical ChemistryElemental AnalysisInorganic ChemistryAcid-base ChemistryAquatic ChemistryMineral ChemistryMineral Surface ChemistryWater ChemistryAdsorbent CharacterizationBifunctional ChelatorsIsotherm ModelingRadionuclide SorptionSeawater ChemistrySorptionTheoretical SaturationUranium Removal
Informed by density functional theory calculations, a novel bifunctional chelator, ( Z )-2-[2-( N ′-hydroxycarbamimidoyl)phenoxy]benzoic acid, was designed and synthesized for ultrahigh uranium uptake from seawater. Investigation of the ligand for uranium sorption was conducted in artificial seawater (pH = 8.2). An exceptional uranium uptake of 553 mg of uranium (g of sorbent) −1 was obtained with a theoretical saturation capacity of 710 mg g –1 obtained by fitting isotherm data with the Langmuir–Freundlich model. The resulting yellow precipitate was characterized via X-ray absorption fine structure (XAFS) at the U L III -edge, with the extended XAFS spectra best fitted by a model where uranyl is coordinated by monodentate amidoxime, one chelating carboxylic acid, and two water molecules. These results are consistent with the formation of a uranium coordination polymer. The ultrahigh uranium uptake capacity obtained by the bifunctional chelating ligand makes it a promising candidate for deployment as a uranium adsorbent.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13