title: Kinetic reaction modeling framework for identifying and quantifying reductant reactivity in heterogeneous aquifer sediments.
abstract: Water-sediment interactions triggered by the injection of oxidized aqueous solutions into anoxic groundwater systems usually modify both the aquifer matrix and control the final aqueous composition. The identification and quantification of these reactions in complex heterogeneous systems remains a challenge for the analysis and prediction of water quality changes. Driven by the proposed injection of large quantities of oxic water into a deep anoxic heterogeneous pyritic aquifer; this study was undertaken to quantify the reactivity of aquifer sediments with respect to oxidant consumption and to characterize the variability of the reaction rates across different lithological units. A total of 53 samples were incubated for periods of 14, 37, and 50 days, during which the gas-phase was continuously monitored and the aqueous composition analyzed. A geochemical modeling framework was developed that incorporated a mixed set of equilibrium and kinetic reactions and supported the interpretation and quantification of the geochemical controls. The good agreement between simulated and experimental results of O2 consumption, CO2 production, pH, major ions, and trace metals suggests that the framework was able to successfully quantify reaction rates of competing redox and buffering reactions for the different lithological aquifer material.
authors.affiliation: School of Environmental Systems Engineering, The University of Western Australia, Crawley 6009, Australia. carlos.descourvieres@csiro.au
authors.forename: Carlos
authors.initials: C
authors.lastname: Descourvieres
authors.forename: Henning
authors.initials: H
authors.lastname: Prommer
authors.forename: Carolyn
authors.initials: C
authors.lastname: Oldham
authors.forename: Janek
authors.initials: J
authors.lastname: Greskowiak
authors.forename: Niels
authors.initials: N
authors.lastname: Hartog
mesh_terms: D002138:Calibration; D002245:Carbon Dioxide / Q000032:analysis; D011232:Chemical Precipitation; D003198:Computer Simulation; D005740:Gases / Q000737:chemistry; D019015:Geologic Sediments / Q000737:chemistry*; D007700:Kinetics; D008956:Models, Chemical; D010101:Oxygen Consumption; D044367:Phase Transition; D019163:Reducing Agents / Q000737:chemistry*; D014131:Trace Elements / Q000032:analysis; D014867:Water / Q000737:chemistry*
chemical_list: D005740:Gases; D019163:Reducing Agents; D014131:Trace Elements; D014867:Water; D002245:Carbon Dioxide