title: Reactive transport modeling of chromium isotope fractionation during Cr(VI) reduction.
abstract: Chromium isotope fractionation is indicative of mass-transfer processes, such as reduction of Cr(VI) to Cr(III) during groundwater remediation. Laboratory experiments comparing batch and column treatment of Cr(VI) using organic carbon suggest that the associated isotope fractionation may be influenced by solute-transport mechanisms. These batch and column experiments were simulated using the reactive transport model MIN3P to further evaluate the effects of Cr reduction and transport on isotope fractionation under saturated flow conditions. Simulation of the batch experiment provided a good fit to the experimental data, where a fractionation factor (α₅₃) of 0.9965 was attributed to a single, dominant Cr(VI) removal mechanism. Calibration of the column simulations to the experimental results suggested the presence of a second, more rapid Cr(VI) removal mechanism with α₅₃ = 0.9992. Results from this study demonstrate that the interpretation of Cr isotope fractionation during reduction can be complex, particularly where multiple removal mechanisms are evident. Reactive transport modeling of Cr isotope fractionation can provide a quantitative assessment of the contaminant removal mechanisms, thus improving the application of Cr isotope measurements as a tool to track Cr(VI) migration and attenuation in groundwater.
authors.affiliation: Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON N2L 3G1, Canada.
authors.forename: Julia H
authors.initials: JH
authors.lastname: Jamieson-Hanes
authors.forename: Richard T
authors.initials: RT
authors.lastname: Amos
authors.forename: David W
authors.initials: DW
authors.lastname: Blowes
mesh_terms: D005591:Chemical Fractionation; D002857:Chromium / Q000737:chemistry*; D002859:Chromium Isotopes; D003198:Computer Simulation; D007700:Kinetics; D008956:Models, Chemical; D009038:Motion; D010084:Oxidation-Reduction
chemical_list: D002859:Chromium Isotopes; D002857:Chromium; C074702:chromium hexavalent ion