Modeling the transfer of ionisable organic compounds to crops

  • Trapp, Stefan (Project Participant)
  • Legind, Charlotte Nielsen (Project Manager)

    Project Details


    Ionisable compounds are currently hardly covered by existing quantitative structure-activity relation-ships (QSAR) methods or mechanistic models for predicting their environmental fate. However, they are frequent, typical for many compound classes and advances in analytical chemistry has made them measurable and raised concerns about their presence in the environment.
    Compound classes that include ionisable organic compounds are among others pesticides, pharmaceuticals and detergents. These compound classes are unwanted in the environment due to concerns about their effects on environmental and human health. One issue is their transfer to crops.
    This project will develop a simple and valid approach for estimating the transfer of ionisable organic compounds to crops. The assumption is that current physiology-based approaches for modelling the transfer of neutral organic compounds to plants can be combined with a newly formulated Fick-Nernst-Planck equation to develop models for ionisable compounds.
    AcronymIon Crop Model
    Effective start/end date01/01/201031/12/2010


    • Unknown


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