Soil column leaching experiments – inverse modelling to derive environmental fate parameters
For substances with very low sorption in the OECD study 106, a column leaching study according to OECD Guideline 312 is recommended. However, the method to evaluate these experiments is often not applicable due to breakthrough of the solute. Therefore, we suggest a new evaluation procedure by invers...
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| Language: | English |
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Elsevier
2025-04-01
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| Series: | Environmental Advances |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666765725000079 |
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| author | Stephan Sittig Thomas Augustin Siqi Cao Robin Sur |
| author_facet | Stephan Sittig Thomas Augustin Siqi Cao Robin Sur |
| author_sort | Stephan Sittig |
| collection | DOAJ |
| description | For substances with very low sorption in the OECD study 106, a column leaching study according to OECD Guideline 312 is recommended. However, the method to evaluate these experiments is often not applicable due to breakthrough of the solute. Therefore, we suggest a new evaluation procedure by inverse modelling with HYDRUS-1D and PEST. Using an example substance as a case study, not only the final concentration profiles in the column were considered but also the breakthrough curves. The distribution coefficients between the liquid and the organic matter in the solid phase were determined with soil-pH dependent results in the range of 0.29 L/kg – 286 L/kg with reasonably small uncertainties. Comparison with a global solver (DREAM_ZS) corroborated the solutions. This procedure is suggested to determine sorption parameters for compounds currently not possible to evaluate in regulatory exposure assessments, considering numerical simulations and more robust parameter estimation including parameter uncertainties. |
| format | Article |
| id | doaj-art-48ba6722a73749bc917ecde50f89c48f |
| institution | Kabale University |
| issn | 2666-7657 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Environmental Advances |
| spelling | doaj-art-48ba6722a73749bc917ecde50f89c48f2025-02-06T05:12:55ZengElsevierEnvironmental Advances2666-76572025-04-0119100615Soil column leaching experiments – inverse modelling to derive environmental fate parametersStephan Sittig0Thomas Augustin1Siqi Cao2Robin Sur3knoell Germany GmbH, Konrad-Zuse-Ring 25, 68163 Mannheim, Germany; Corresponding author.Bayer AG Division Crop Science, Alfred-Nobel-Str. 50, 40789 Monheim, GermanyBayer Crop Science LP, 700 Chesterfield Pkwy West, Chesterfield, MO 63017, USABayer AG Division Crop Science, Alfred-Nobel-Str. 50, 40789 Monheim, GermanyFor substances with very low sorption in the OECD study 106, a column leaching study according to OECD Guideline 312 is recommended. However, the method to evaluate these experiments is often not applicable due to breakthrough of the solute. Therefore, we suggest a new evaluation procedure by inverse modelling with HYDRUS-1D and PEST. Using an example substance as a case study, not only the final concentration profiles in the column were considered but also the breakthrough curves. The distribution coefficients between the liquid and the organic matter in the solid phase were determined with soil-pH dependent results in the range of 0.29 L/kg – 286 L/kg with reasonably small uncertainties. Comparison with a global solver (DREAM_ZS) corroborated the solutions. This procedure is suggested to determine sorption parameters for compounds currently not possible to evaluate in regulatory exposure assessments, considering numerical simulations and more robust parameter estimation including parameter uncertainties.http://www.sciencedirect.com/science/article/pii/S2666765725000079Soil columnRisk assessmentLeachingSorptionInverse modellingOECD guideline |
| spellingShingle | Stephan Sittig Thomas Augustin Siqi Cao Robin Sur Soil column leaching experiments – inverse modelling to derive environmental fate parameters Environmental Advances Soil column Risk assessment Leaching Sorption Inverse modelling OECD guideline |
| title | Soil column leaching experiments – inverse modelling to derive environmental fate parameters |
| title_full | Soil column leaching experiments – inverse modelling to derive environmental fate parameters |
| title_fullStr | Soil column leaching experiments – inverse modelling to derive environmental fate parameters |
| title_full_unstemmed | Soil column leaching experiments – inverse modelling to derive environmental fate parameters |
| title_short | Soil column leaching experiments – inverse modelling to derive environmental fate parameters |
| title_sort | soil column leaching experiments inverse modelling to derive environmental fate parameters |
| topic | Soil column Risk assessment Leaching Sorption Inverse modelling OECD guideline |
| url | http://www.sciencedirect.com/science/article/pii/S2666765725000079 |
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