Incorporating Aqueous Reaction Kinetics and Biodegradation into TOUGHREACT: Applying a Multiregion Model to Hydrobiogeochemical Transport of Denitrification and Sulfate Reduction

  • Xu T
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Abstract

T e need to consider aqueous and sorption reaction kinetics and microbiological processes arises in many subsurface problems. By adding these processes to the TOUGH family code, more complex problems can be addressed that involve multiphase fl uid and heat fl ow, and geochemical interaction. T is paper presents a formulation for incorporating kinetic rates among primary species into mass-balance equations. T e space discretization used is based on a fl exible integral fi nite diff erence approach that uses irregular gridding to model biogeologic structures. A general multiregion model for hydrological transport interacted with microbiological and geochemical processes is proposed. A one-dimensional reactive transport problem with kinetic biodegrada- tion and sorption was used to test the enhanced simulator, which involves the processes that occur when a pulse of water con- taining nitrylotriacetate (NTA) and cobalt is injected into a column. T e current simulation results agree very well with those obtained with other simulators. T e applicability of this general multiregion model was validated by results from a published column experiment of denitrifi cation and sulfate reduction. T e matches with measured nitrate and sulfate concentrations were adjusted with the interfacial area between mobile and immobile regions. Results suggest that TOUGHREACT not only is use- ful interpretative tool for biogeochemical experiments but also can produce insight into processes and parameters of microscopic diff usion and their interplay with biogeochemical reactions.

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Authors

  • Tianfu Xu

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