Multicomponent geochemical transport modeling using the HYDRUS computer software packages

The transport of reactive contaminants in the subsurface is generally affected by a large number of nonlinear and often interactive physical, chemical and biological processes. Simulating these processes requires a coupled reactive transport code that couples the physical processes of water flow and advective-dispersive transport with a range of biogeochemical processes. In this paper we summarize two recently developed coupled geochemical models that are both based on the HYDRUS-1D software package for variably saturated flow and transport. One model resulted from coupling HYDRUS-1D with the UNSATCHEM module. While restricted to major ion chemistry, this program enables quantitative predictions of such problems as analyzing the effects of salinity on plant growth and the amount of water and amendments required to reclaim salt-affected soil profiles. The second model, HP1, resulted from coupling HYDRUS-1D with the PHREEQC biogeochemical code. The latter program accounts for a wide range of instantaneous or kinetic chemical and biological reactions, including complexation, cation exchange, surface complexation, precipitation-dissolution and/or redox reactions. The versatility of HP1 is illustrated in this paper by means of two examples: the leaching of toxic trace elements and the transport of TNT and its degradation products.