Publications by authors named "Dorrell C McCalman"

We report experiments and simulations to understand the factors that control chromium (Cr(3+)) electrodeposition from ionic liquid solutions. Speciation, conductivities and diffusivities in mixtures of trivalent chromium chloride, water and choline chloride (CrCl3/xH2O/yChCl) were computed from molecular dynamics simulations and compared to measured ultraviolet-visible spectra, conductivities from electrical impedance spectroscopy, and cyclic voltammograms. Computed changes in Cr(3+) first solvation shell and conductivity with solution composition qualitatively agree with experimental observations.

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Azo dyes are widespread pollutants and potential cocontaminants for nitrate; we evaluated their effect on catalytic reduction of a suite of oxyanions, diatrizoate, and N-nitrosodimethylamine (NDMA). The azo dye methyl orange significantly enhanced (less than or equal to a factor of 5.24) the catalytic reduction kinetics of nitrate, nitrite, bromate, perchlorate, chlorate, and diatrizoate with several different Pd-based catalysts; NDMA reduction was not enhanced.

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