Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transport
<p>We present a method to simulate fluid flow with reactive solute transport in structured, partially saturated soils using a Lagrangian perspective. In this context, we extend the scope of the Lagrangian Soil Water and Solute Transport Model (LAST) (Sternagel et al., 2019) by implementing ver...
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2021-03-01
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doaj-3e86c71c00ca4d288aaaf73ee1cad3402021-03-25T14:43:22ZengCopernicus PublicationsHydrology and Earth System Sciences1027-56061607-79382021-03-01251483150810.5194/hess-25-1483-2021Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transportA. Sternagel0R. Loritz1J. Klaus2B. Berkowitz3E. Zehe4Karlsruhe Institute of Technology (KIT), Institute of Water Resources and River Basin Management, Hydrology, Karlsruhe, GermanyKarlsruhe Institute of Technology (KIT), Institute of Water Resources and River Basin Management, Hydrology, Karlsruhe, GermanyLuxembourg Institute of Science and Technology (LIST), Environmental Research and Innovation Department, Catchment and Eco-Hydrology Research Group, Esch-sur-Alzette, LuxembourgDepartment of Earth and Planetary Sciences, Weizmann Institute of Science, Rehovot, IsraelKarlsruhe Institute of Technology (KIT), Institute of Water Resources and River Basin Management, Hydrology, Karlsruhe, Germany<p>We present a method to simulate fluid flow with reactive solute transport in structured, partially saturated soils using a Lagrangian perspective. In this context, we extend the scope of the Lagrangian Soil Water and Solute Transport Model (LAST) (Sternagel et al., 2019) by implementing vertically variable, non-linear sorption and first-order degradation processes during transport of reactive substances through a partially saturated soil matrix and macropores. For sorption, we develop an explicit mass transfer approach based on Freundlich isotherms because the common method of using a retardation factor is not applicable in the particle-based approach of LAST. The reactive transport method is tested against data of plot- and field-scale irrigation experiments with the herbicides isoproturon and flufenacet at different flow conditions over various periods. Simulations with HYDRUS 1-D serve as an additional benchmark. At the plot scale, 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. Furthermore, LAST successfully simulates the effects of adsorption and degradation on the breakthrough behaviour of flufenacet with preferential leaching and remobilization. The results demonstrate the feasibility of the method to simulate reactive solute transport in a Lagrangian framework and highlight the advantage of the particle-based approach and the structural macropore domain to simulate solute transport as well as to cope with preferential bypassing of topsoil and subsequent re-infiltration into the subsoil matrix.</p>https://hess.copernicus.org/articles/25/1483/2021/hess-25-1483-2021.pdf |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
A. Sternagel R. Loritz J. Klaus B. Berkowitz E. Zehe |
spellingShingle |
A. Sternagel R. Loritz J. Klaus B. Berkowitz E. Zehe Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transport Hydrology and Earth System Sciences |
author_facet |
A. Sternagel R. Loritz J. Klaus B. Berkowitz E. Zehe |
author_sort |
A. Sternagel |
title |
Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transport |
title_short |
Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transport |
title_full |
Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transport |
title_fullStr |
Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transport |
title_full_unstemmed |
Simulation of reactive solute transport in the critical zone: a Lagrangian model for transient flow and preferential transport |
title_sort |
simulation of reactive solute transport in the critical zone: a lagrangian model for transient flow and preferential transport |
publisher |
Copernicus Publications |
series |
Hydrology and Earth System Sciences |
issn |
1027-5606 1607-7938 |
publishDate |
2021-03-01 |
description |
<p>We present a method to simulate fluid flow with reactive
solute transport in structured, partially saturated soils using a Lagrangian
perspective. In this context, we extend the scope of the Lagrangian Soil
Water and Solute Transport Model (LAST) (Sternagel et al., 2019) by
implementing vertically variable, non-linear sorption and first-order
degradation processes during transport of reactive substances through a
partially saturated soil matrix and macropores. For sorption, we develop an
explicit mass transfer approach based on Freundlich isotherms because the
common method of using a retardation factor is not applicable in the
particle-based approach of LAST. The reactive transport method is tested
against data of plot- and field-scale irrigation experiments with the
herbicides isoproturon and flufenacet at different flow conditions over
various periods. Simulations with HYDRUS 1-D serve as an additional
benchmark. At the plot scale, 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. Furthermore, LAST successfully simulates
the effects of adsorption and degradation on the breakthrough behaviour of
flufenacet with preferential leaching and remobilization. The results
demonstrate the feasibility of the method to simulate reactive solute
transport in a Lagrangian framework and highlight the advantage of the
particle-based approach and the structural macropore domain to simulate
solute transport as well as to cope with preferential bypassing of topsoil
and subsequent re-infiltration into the subsoil matrix.</p> |
url |
https://hess.copernicus.org/articles/25/1483/2021/hess-25-1483-2021.pdf |
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