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@ARTICLE{Jorda:902682,
      author       = {Jorda, Helena and Huber, Katrin and Kunkel, Asta and
                      Vanderborght, Jan and Javaux, Mathieu and Oberdörster,
                      Christoph and Hammel, Klaus and Schnepf, Andrea},
      title        = {{M}echanistic modeling of pesticide uptake with a 3{D}
                      plant architecture model},
      journal      = {Environmental science and pollution research},
      volume       = {28},
      number       = {39},
      issn         = {0944-1344},
      address      = {Heidelberg},
      publisher    = {Springer},
      reportid     = {FZJ-2021-04469},
      pages        = {55678 - 55689},
      year         = {2021},
      abstract     = {Meaningful assessment of pesticide fate in soils and plants
                      is based on fate models that represent all relevant
                      processes. With mechanistic models, these processes can be
                      simulated based on soil, substance, and plant properties. We
                      present a mechanistic model that simulates pesticide uptake
                      from soil and investigate how it is influenced, depending on
                      the governing uptake process, by root and substance
                      properties and by distributions of the substance and water
                      in the soil profile. A new root solute uptake model based on
                      a lumped version of the Trapp model (Trapp, 2000) was
                      implemented in a coupled version of R-SWMS-ParTrace models
                      for 3-D water flow and solute transport in soil and root
                      systems. Solute uptake was modeled as two individual
                      processes: advection with the transpiration stream and
                      diffusion through the root membrane. We set up the model for
                      a FOCUS scenario used in the European Union (EU) for
                      pesticide registration. Considering a single vertical root
                      and advective uptake only, the root hydraulic properties
                      could be defined so that water and substance uptake and
                      substance fate in soil showed a good agreement with the
                      results of the 1D PEARL model, one of the reference models
                      used in the EU for pesticide registration. Simulations with
                      a complex root system and using root hydraulic parameters
                      reported in the literature predicted larger water uptake
                      from the upper root zone, leading to larger pesticide uptake
                      when pesticides are concentrated in the upper root zone.
                      Dilution of root water concentrations at the top root zone
                      with water with low pesticide concentration taken up from
                      the bottom of the root zone leads to larger uptake of solute
                      when uptake was simulated as a diffusive process. This
                      illustrates the importance of modeling uptake
                      mechanistically and considering root and solute physical and
                      chemical properties, especially when root-zone pesticide
                      concentrations are non-uniform.},
      cin          = {IBG-3},
      ddc          = {690},
      cid          = {I:(DE-Juel1)IBG-3-20101118},
      pnm          = {2173 - Agro-biogeosystems: controls, feedbacks and impact
                      (POF4-217) / DFG project 403641034 - Modellierung von
                      Selbstorganisation in der Rhizosphäre},
      pid          = {G:(DE-HGF)POF4-2173 / G:(GEPRIS)403641034},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {34142318},
      UT           = {WOS:000662916500010},
      doi          = {10.1007/s11356-021-14878-3},
      url          = {https://juser.fz-juelich.de/record/902682},
}