This paper presents a three-dimensional, MODFLOW/MT3DMS-based reactive multicomponent transport model for saturated porous media. Based on a split-operator technique, the model, referred to as PHT3D, couples the transport simulator MT3DMS and the geochemical modeling code PHREEQC-2. Through the flexible, generic nature of PHREEQC-2, PHT3D can handle a broad range of equilibrium and kinetically controlled reactive processes, including aqueous complexation, mineral precipitation/dissolution, and ion exchange. The diversity of potential applications is demonstrated through simulation of five existing literature benchmarks and a new three-dimensional sample problem. The model might be applied to simulate the geochemical evolution of pristine and contaminated aquifers as well as their cleanup. The latter problem class includes the natural and enhanced attenuation/remediation schemes of a wide range of organic and inorganic contaminants. Processes/reactions not included in the standard PHREEQC-2 database but typical for this type of application (e.g., NAPL dissolution, microbial growth/decay) can be defined and included via the extensible PHREEQC-2 database file.

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[1] A parametric analysis is conducted to examine the influence of tides, inland hydraulic conditions, and aquifer properties on the rate of tide-induced seawater recirculation through the nearshore aquifer. Understanding such influence is crucial for accurate prediction of subsurface chemical fluxes to coastal waters via groundwater discharge. The analysis is based on numerical simulations of density-dependent groundwater flow in a coastal aquifer subject to tidal oscillations across a sloping beach face. The results reveal that the amplitude of tidal oscillations and the inland hydraulic gradient are the primary parameters controlling the tide-induced recirculation rates. Significant tidal exchange is expected when the ratio of tidal to inland forcing is large. The horizontal tidal shoreline excursion and aquifer depth both display asymptotic behavior, influencing recirculation rates for only small values where the exchange process is limited by the potential for infiltration and shallowness of the aquifer, respectively. The analysis also indicates that tidal effects increase density-driven recirculation rates due to enhanced convective flow within the saltwater wedge.Citation: Robinson, C., L. Li, and H. Prommer (2007), Tide-induced recirculation across the aquifer-ocean interface, Water Resour.