Development and evaluation of a mathematical model for the transport and oxidation-reduction of CoEDTA

• Published in: Water resources research 2000-11, Vol.36 (11), p.3151-3165
• Main Authors: Saiers, James E., Guha, Hillol, Jardine, Phil, Brooks, Scott
• Format: Article
• Language: English
• ISSN: 0043-1397; 1944-7973
• DOI: 10.1029/2000WR900210

Oxidation‐reduction reactions influence the subsurface mobility of a wide variety of toxic contaminants. In the work reported here, we develop a new model for coupled transport and oxidation‐reduction, and we test the model against published data on the movement of CoEDTA (cobalt ethylenediaminetetraacetic acid) through columns packed with β‐MnO2‐coated sand. The model solves equations for the advective‐dispersive transport of three aqueous species: Co(II)EDTA, Co(III)EDTA, and dissolved oxygen. These transport equations are linked with nonlinear kinetics expressions that describe (1) oxidation of Co(II)EDTA to Co)III)EDTA by β‐MnO2, (2) inhibition of Co(II)EDTA oxidation due to precipitation of Mn2O3, an insoluble reaction product that occludes the β‐MnO2 surface, and (3) regeneration of the redox‐reactive β‐MnO2 surface through oxidation of the Mn2O3 precipitate by dissolved oxygen. Comparison of experimental and calculated results demonstrates that the model describes the response of the coupled hydrological and geochemical processes to changes in flow rate, influent concentrations of Co(II)EDTA, and β‐MnO2 surface coverages.