TY - JOUR
T1 - Multicomponent geochemical transport modeling using HYDRUS-1D and HP1
AU - Šimůnek, J.
AU - Jacques, Diederik
AU - van Genuchten, M. Th.
AU - Mallants, Dirk
N1 - Score = 10
PY - 2006/12
Y1 - 2006/12
N2 - 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 comprehensive reactive transport code that couples the physical processes of water flow and advective-dispersive transport with a range of biogeochemical processes. Two recently developed coupled geochemical models that are both based on the HYDRUS-1D software package for variably saturated flow and transport are summarized in this paper. 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.
AB - 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 comprehensive reactive transport code that couples the physical processes of water flow and advective-dispersive transport with a range of biogeochemical processes. Two recently developed coupled geochemical models that are both based on the HYDRUS-1D software package for variably saturated flow and transport are summarized in this paper. 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.
KW - vadose zone
KW - transport and fate
KW - heavy metals
KW - multicomponent geochemical transport
KW - reclamation models
UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_78156
UR - http://knowledgecentre.sckcen.be/so2/bibref/4182
M3 - Article
SN - 1752-1688
VL - 46
SP - 1537
EP - 1547
JO - Journal of American Water Resources Association
JF - Journal of American Water Resources Association
IS - 6
ER -