Simulation of reactive solute transport in the critical zone: ALagrangian model for transient flow and preferential transport [* Cross-Reference *]

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Alexander Sternagel; Ralf Loritz; Julian Klaus; Brian Berkowitz; Erwin Zehe, 2026, "Simulation of reactive solute transport in the critical zone: ALagrangian model for transient flow and preferential transport [* Cross-Reference *]", https://lore.list.lu/citation?persistentId=perma:LIST.CQKXIC, LIST Open Repository, V1

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Description	Abstract. We present an approach to simulate reactive solute transport within the Lagrangian Soil Water and Solute Transport Model framework (LAST). The LAST-Model is based on a Lagrangian perspective describing the (1-D) movement of discrete water particles, which travel at different velocities and carry solutes through a heterogeneous, partially saturated soil that is separated into a soil matrix and structural macropore domain. In this study, we implement an approach to represent non-linear sorption and first-order degradation processes of reactive solutes under well-mixed and preferential flow conditions in the critical zone. The intensity of the two reactive transport processes may vary with the soil depth, to account for topsoil that facilitates enhanced microbial activity (and hence sorption) as well as chemical turnover rates. This expanded LAST-Model is evaluated with simulations of conservative tracer transport and reactive transport of the herbicide Isoproturon, at different flow conditions, and compared to data from field experiments. Additionally, the model is compared to simulations from the commonly used HYDRUS 1-D model. Both models show equal performance at a matrix flow dominated site, but LAST better matches indicators of preferential flow at a macropore flow dominated site. These results demonstrate the feasibility of the approach to simulate reactive transport in the LAST-Model framework, and highlight the advantage of the structural macropore domain to cope with preferential bypassing of topsoil and subsequent re-infiltration into the subsoil matrix. (2020-10-21) *This entry has been automatically imported via OpenAlex by LIST harvest scripts. Please refer to https://doi.org/10.5194/hess-2020-527 for the original and latest version of the publication* (2026-07-01)
Subject	Earth and Environmental Sciences; Engineering; Physics
Keyword	Macropore, Topsoil, Subsoil, Sorption, Richards equation, Soil science, Environmental science, TRACER, Flow (mathematics), Infiltration (HVAC), Soil water, Hydrology (agriculture), Mechanics, Chemistry, Geotechnical engineering, Geology, Thermodynamics, Physics
License/Data Use Agreement	CC BY 4.0


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Persistent Identifier	perma:LIST.CQKXIC
Publication Date	2026-07-06
Title	Simulation of reactive solute transport in the critical zone: ALagrangian model for transient flow and preferential transport [* Cross-Reference *]
Other Identifier	https://doi.org/10.5194/hess-2020-527 OpenAlex ID: https://openalex.org/W4254137824
Author	Alexander Sternagel (Karlsruhe Institute of Technology) - ORCID: https://orcid.org/0000-0002-0344-1886 Ralf Loritz (Karlsruhe Institute of Technology) - ORCID: https://orcid.org/0000-0002-0540-6478 Julian Klaus (Luxembourg Institute of Science and Technology) - ORCID: https://orcid.org/0000-0002-6301-1634 Brian Berkowitz (Weizmann Institute of Science) - ORCID: https://orcid.org/0000-0003-3078-1859 Erwin Zehe (Karlsruhe Institute of Technology) - ORCID: https://orcid.org/0000-0003-0155-7276
Point of Contact	Use email button above to contact. LIST QDKM (LIST)
Description	Abstract. We present an approach to simulate reactive solute transport within the Lagrangian Soil Water and Solute Transport Model framework (LAST). The LAST-Model is based on a Lagrangian perspective describing the (1-D) movement of discrete water particles, which travel at different velocities and carry solutes through a heterogeneous, partially saturated soil that is separated into a soil matrix and structural macropore domain. In this study, we implement an approach to represent non-linear sorption and first-order degradation processes of reactive solutes under well-mixed and preferential flow conditions in the critical zone. The intensity of the two reactive transport processes may vary with the soil depth, to account for topsoil that facilitates enhanced microbial activity (and hence sorption) as well as chemical turnover rates. This expanded LAST-Model is evaluated with simulations of conservative tracer transport and reactive transport of the herbicide Isoproturon, at different flow conditions, and compared to data from field experiments. Additionally, the model is compared to simulations from the commonly used HYDRUS 1-D model. Both models show equal performance at a matrix flow dominated site, but LAST better matches indicators of preferential flow at a macropore flow dominated site. These results demonstrate the feasibility of the approach to simulate reactive transport in the LAST-Model framework, and highlight the advantage of the structural macropore domain to cope with preferential bypassing of topsoil and subsequent re-infiltration into the subsoil matrix. (2020-10-21) *This entry has been automatically imported via OpenAlex by LIST harvest scripts. Please refer to https://doi.org/10.5194/hess-2020-527 for the original and latest version of the publication* (2026-07-01)
Subject	Earth and Environmental Sciences; Engineering; Physics
Keyword	Macropore Topsoil Subsoil Sorption Richards equation Soil science Environmental science TRACER Flow (mathematics) Infiltration (HVAC) Soil water Hydrology (agriculture) Mechanics Chemistry Geotechnical engineering Geology Thermodynamics Physics
Topic Classification	Groundwater flow and contamination studies Soil and Unsaturated Flow Landfill Environmental Impact Studies
Deposit Date	2020-10-21
Data Type	Preprint

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