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T.D. Waite

Publications and source records attributed to T.D. Waite.

6 recordsLinked to original sources
USGS2010

Transport of chromium and selenium in the suboxic zone of a shallow aquifer: Influence of redox and adsorption reactions

Breakthrough of Cr(VI) (chromate), Se(VI) (selenate), and O 2 (dissolved oxygen) was observed in tracer tests conducted in a shallow, sand and gravel aquifer with mildly reducing conditions. Loss of Cr, probably due to reduction of Cr(VI) to Cr(III) and irreversible sorption of Cr(III), occurred along with slight retardation of Cr(VI), owing to reversible sorption. Reduction of Se(VI) and O 2 was thermodynamically feasible but did not occur, indicating conditions, were unfavorable to microbial reduction. Cr(VI) reduction by constituents of aquifer sediments did not achieve local equilibrium during transport. The reduction rate was probably limited by incomplete contact between Cr(VI) transported along predominant flow paths and reductants located in regions within aquifer sediments of comparatively low permeability. Scatter in the amount of Cr reduction calculated from individual breakthrough curves at identical distances downgradient probably resulted from heterogeneities in the distribution of reductants in the sediments. Predictive modeling of the transport and fate of redox-sensitive solutes cannot be based strictly on thermodynamic considerations; knowledge of reaction rates is critical. Potentially important mass transfer rate limitations between solutes and reactants in sediments as well as heterogeneities in the distribution of redox properties in aquifers complicate determination of limiting rates for use in predictive simulations of the transport of redox-sensitive contaminants in groundwater.

Water Resources Research↗
USGS2009

Approaches to modelling uranium (VI) adsorption on natural mineral assemblages

Component additivity (CA) and generalised composite (GC) approaches to deriving a suitable surface complexation model for description of U(VI) adsorption to natural mineral assemblages are pursued in this paper with good success. A single, ferrihydrite-like component is found to reasonably describe uranyl uptake to a number of kaolinitic iron-rich natural substrates at pH > 4 in the CA approach with previously published information on nature of surface complexes, acid-base properties of surface sites and electrostatic effects used in the model. The GC approach, in which little pre-knowledge about generic surface sites is assumed, gives even better fits and would appear to be a method of particular strength for application in areas such as performance assessment provided the model is developed in a careful, stepwise manner with simplicity and goodness of fit as the major criteria for acceptance.

Radiochimica Acta↗
USGS2004

Surface complexation model of uranyl sorption on Georgia kaolinite

The adsorption of uranyl on standard Georgia kaolinites (KGa-1 and KGa-1B) was studied as a function of pH (3–10), total U (1 and 10 μmol/l), and mass loading of clay (4 and 40 g/l). The uptake of uranyl in air-equilibrated systems increased with pH and reached a maximum in the near-neutral pH range. At higher pH values, the sorption decreased due to the presence of aqueous uranyl carbonate complexes. One kaolinite sample was examined after the uranyl uptake experiments by transmission electron microscopy (TEM), using energy dispersive X-ray spectroscopy (EDS) to determine the U content. It was found that uraniumwas preferentially adsorbed by Ti-rich impurity phases (predominantly anatase), which are present in the kaolinite samples. Uranyl sorption on the Georgia kaolinites was simulated with U sorption reactions on both titanol and aluminol sites, using a simple non-electrostatic surface complexation model (SCM). The relative amounts of U-binding >TiOH and >AlOH sites were estimated from the TEM/EDS results. A ternary uranyl carbonate complex on the titanol site improved the fit to the experimental data in the higher pH range. The final model contained only three optimised log K values, and was able to simulate adsorption data across a wide range of experimental conditions. The >TiOH (anatase) sites appear to play an important role in retaining U at low uranyl concentrations. As kaolinite often contains trace TiO 2 , its presence may need to be taken into account when modelling the results of sorption experiments with radionuclides or trace metals on kaolinite.

Applied Clay Science↗
USGS1994

Uranium(VI) adsorption to ferrihydrite: Application of a surface complexation model

A study of U(VI) adsorption by ferrihydrite was conducted over a wide range of U(VI) concentrations, pH, and at two partial pressures of carbon dioxide. A two-site (strong- and weak-affinity sites, Fe s OH and Fe w OH, respectively) surface complexation model was able to describe the experimental data well over a wide range of conditions, with only one species formed with each site type: an inner-sphere, mononuclear, bidentate complex of the type (FeO 2 )UO 2 . The existence of such a surface species was supported by results of uranium EXAFS spectroscopy performed on two samples with U(VI) adsorption density in the upper range observed in this study (10 and 18% occupancy of total surface sites). Adsorption data in the alkaline pH range suggested the existence of a second surface species, modeled as a ternary surface complex with UO 2 CO 3 0 binding to a bidentate surface site. Previous surface complexation models for U(VI) adsorption have proposed surface species that are identical to the predominant aqueous species, e.g., multinuclear hydrolysis complexes or several U(VI)-carbonate complexes. The results demonstrate that the speciation of adsorbed U(VI) may be constrained by the coordination environment at the surface, giving rise to surface speciation for U(VI) that is significantly less complex than aqueous speciation.

Geochimica et Cosmochimica Acta↗
USGS1985

Electronic spectra of Fe3+ oxides and oxide hydroxides in the near IR to near UV.

Optical absorption and diffuse reflectance spectra of several Fe2O3 and FeOOH polymorphs (hematite, maghemite, goethite, lepidocrocite) in the near-IR to near-UV spectral regions (2000-200 nm) are presented. The spectra consist primarily of Fe3+ ligand field and ligand-to-metal charge-transfer transitions.-J.A.Z.

American Mineralogist↗