Transformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditions
Abstract In response to the growing concern over PFAS contamination, employing models to simulate PFAS behavior in the environment becomes necessary. This facilitates evaluating risks tied to leaching into groundwater, adsorption in soil, plant uptake, entry into the food chain, and the conversion o...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2024-03-01
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| Series: | Environmental Sciences Europe |
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| Online Access: | https://doi.org/10.1186/s12302-024-00883-z |
| _version_ | 1797233782724493312 |
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| author | Eva Weidemann René Lämmer Bernd Göckener Mark Bücking Matthias Gassmann |
| author_facet | Eva Weidemann René Lämmer Bernd Göckener Mark Bücking Matthias Gassmann |
| author_sort | Eva Weidemann |
| collection | DOAJ |
| description | Abstract In response to the growing concern over PFAS contamination, employing models to simulate PFAS behavior in the environment becomes necessary. This facilitates evaluating risks tied to leaching into groundwater, adsorption in soil, plant uptake, entry into the food chain, and the conversion of precursors into persistent PFAS. We utilized the MACRO model to simulate the behavior of the precursors 6:2 diPAP and 8:2 diPAP using data from a 2-year lysimeter experiment, key compound parameters were optimized via the caRamel evolutionary algorithm. We assumed that the transformation of both diPAP precursors into stable PFAAs is influenced by temperature and soil moisture, similar to pesticide degradation by microorganisms. Results reveal that the model accurately represents transformation, leaching, soil retention, and plant uptake of diPAP and transformation products. A comparison with a lab-based soil column study supports the slower natural degradation of precursors, affirming our modeling approach. Temperature and soil moisture could indicate that a worst-case scenario for transformation product leaching into groundwater could occur during a mild summer with moderate evapotranspiration and heavy rainfall. Plant uptake involves multiple elements: PFAS availability in the root zone depends on prior degradation or presence. Increased moisture in the root zone favors PFAS uptake combined with temperatures high enough for prior biotransformation. The calculation of temperature and moisture-based conversion rates was adopted directly from MACRO. It is recommended to further investigate these effects to validate and possibly modify them. |
| first_indexed | 2024-04-24T16:21:39Z |
| format | Article |
| id | doaj.art-c9ffebec9e3a4a16bea594701e6ac547 |
| institution | Directory Open Access Journal |
| issn | 2190-4715 |
| language | English |
| last_indexed | 2024-04-24T16:21:39Z |
| publishDate | 2024-03-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Environmental Sciences Europe |
| spelling | doaj.art-c9ffebec9e3a4a16bea594701e6ac5472024-03-31T11:12:47ZengSpringerOpenEnvironmental Sciences Europe2190-47152024-03-0136111410.1186/s12302-024-00883-zTransformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditionsEva Weidemann0René Lämmer1Bernd Göckener2Mark Bücking3Matthias Gassmann4Department of Hydrology and Substance Balance, University of KasselDepartment of Trace Analysis & Environmental Monitoring, Fraunhofer Institute for Molecular Biology and Applied Ecology IMEDepartment of Trace Analysis & Environmental Monitoring, Fraunhofer Institute for Molecular Biology and Applied Ecology IMEDepartment of Trace Analysis & Environmental Monitoring, Fraunhofer Institute for Molecular Biology and Applied Ecology IMEDepartment of Hydrology and Substance Balance, University of KasselAbstract In response to the growing concern over PFAS contamination, employing models to simulate PFAS behavior in the environment becomes necessary. This facilitates evaluating risks tied to leaching into groundwater, adsorption in soil, plant uptake, entry into the food chain, and the conversion of precursors into persistent PFAS. We utilized the MACRO model to simulate the behavior of the precursors 6:2 diPAP and 8:2 diPAP using data from a 2-year lysimeter experiment, key compound parameters were optimized via the caRamel evolutionary algorithm. We assumed that the transformation of both diPAP precursors into stable PFAAs is influenced by temperature and soil moisture, similar to pesticide degradation by microorganisms. Results reveal that the model accurately represents transformation, leaching, soil retention, and plant uptake of diPAP and transformation products. A comparison with a lab-based soil column study supports the slower natural degradation of precursors, affirming our modeling approach. Temperature and soil moisture could indicate that a worst-case scenario for transformation product leaching into groundwater could occur during a mild summer with moderate evapotranspiration and heavy rainfall. Plant uptake involves multiple elements: PFAS availability in the root zone depends on prior degradation or presence. Increased moisture in the root zone favors PFAS uptake combined with temperatures high enough for prior biotransformation. The calculation of temperature and moisture-based conversion rates was adopted directly from MACRO. It is recommended to further investigate these effects to validate and possibly modify them.https://doi.org/10.1186/s12302-024-00883-zPFASMACROLeaching simulation |
| spellingShingle | Eva Weidemann René Lämmer Bernd Göckener Mark Bücking Matthias Gassmann Transformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditions Environmental Sciences Europe PFAS MACRO Leaching simulation |
| title | Transformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditions |
| title_full | Transformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditions |
| title_fullStr | Transformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditions |
| title_full_unstemmed | Transformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditions |
| title_short | Transformation, leaching and plant uptake simulations of 6:2 and 8:2 polyfluoroalkyl phosphate diesters (diPAPs) and related transformation products under near-natural conditions |
| title_sort | transformation leaching and plant uptake simulations of 6 2 and 8 2 polyfluoroalkyl phosphate diesters dipaps and related transformation products under near natural conditions |
| topic | PFAS MACRO Leaching simulation |
| url | https://doi.org/10.1186/s12302-024-00883-z |
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