{"type": "FeatureCollection", "features": [{"id": "10.5281/zenodo.14789120", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-22T16:20:37Z", "type": "Report", "title": "Deliverable D2.4 - Guidance document on fate, transport and exposure for PMT's in the environment", "description": "Executive Summary  Models are used in exposure assessment for a number of reasons. They can help map the temporal and spatial variability of exposure, exposure pathways and exposure routes, and support risk assessment for water bodies where monitoring is lacking. They can be used to identify sources and pathways responsible for current exposures and to assess the impact of potential future developments of persistent, mobile, and toxic chemicals (PMT) exposures in surface water and groundwater. Such scenario assessment may include changes in PMT use, effects of pollution control measures, accidental spills or climate change.  The scope of this document, produced as part of the H2020 PROMISCES project, is to provide guidance for applications of models with a specific focus on model trains for the assessment of exposure to PMTs as part of the predictive risk assessment related to surface and groundwater. This document explains the basic concepts of specific models and how best to use them in modeltrains in the framework of a tiered approach. The intention is to inform users and interested stakeholders about what needs to be considered when using different methods, what is the best use of specific models, what are the best combinations in model trains and what are their current limitations.  The guidance document presents (i) \u201cscreening level\u201d models for the assessment of regional exposure of groundwater from soil pollution and for the assessment of general exposure of air, soil and water at local, regional or global scales, (ii) spatial and temporal explicit approaches for the identification of pollution plumes in the soil-groundwater continuum and (iii) model train applications for the catchment \u2013 river \u2013 river bank filtration \u2013 drinking water continuum.  Exposure of surface water and groundwater to PMT depends on the use patterns and the environmental fate of the chemicals. Emission, fate and transport models incorporate driving factors into documented algorithms. The extent to which a substance persists in surface water can, for instance, be calculated with the \u201cSimpleBox - Aquatic Persistence Dashboard\u201d, based on its physical-chemical characteristics. The presented approach for deriving generic risk limits for soils shows that, depending on regional variations in geo(hydro)logical conditions, the high mobility of some PFAS could lead to strict requirements for materials applied on soil.  For the soil-groundwater continuum, a novel model train is presented which accounts for the main physical and chemical processes controlling the fate and transport of PFAS. For sorption and degradation reactions, several formalisms can be used, allowing one to select the most appropriate according to the PFAS molecular properties and the characteristics of the simulateddomain. The results issued from these modelling applications indicate the key role of correctly identifying the main physical, chemical and biological processes controlling fate and transport of PFAS in the studied domain to build a robust conceptual model. To increase the robustness of the model, a thorough model calibration must be performed, preferably using time seriesmeasurements of the PFAS concentration in the pore solution at different locations of the contaminated site.  The results confirm the key role of the unsaturated zone in the transfer and long-term migration of PFAS. Nonlinearity and nonideality of sorption reactions were expected for a broad range of PFAS, suggesting using more complex numerical formalism than linear isotherms. Considering the key role of capillary fringe displacement on PFAS transport in the unsaturated zone, themodel train seems to be very efficient in performing PFAS simulations, as it can explicitly describe water flow and solute transport at the interface between the unsaturated and saturated zones, avoiding the main pitfall encountered in other numerical approaches.  The combination of stand-alone models in model trains expands the scope that can be covered in the context of a catchment \u2013 river \u2013 riverbank filtration \u2013 drinking water continuum for exposure assessment of surface waters and bank filtered drinking water. Model trains can combine individual models either in a complementary way or in a sequence. A complementary combination may either compare models of different complexity to find out which level of complexity (and associated effort) is needed to answer which questions, or may compare different models with their different strengths and weaknesses in parallel to assess uncertainties and/or use models for scenario evaluation according to their specific capabilities. A sequential combination facilitates a broader application in terms of content and at different spatial resolutions. Clearly defined interfaces are essential for a successful implementation.  Examples of model trains for selected PFAS are presented for the catchment-river interaction in the urban context of the Berlin case and for the whole catchment \u2013 river \u2013 riverbank filtration \u2013 drinking water continuum on the scale of the Upper Danube Basin. The Berlin case demonstrates the application of the sequential model train by combining a city emission model with a city surface water fate and transport model to assess the resulting exposure to PFAS in the city surface waters. The Danube case demonstrates the application of a sequential model train for exposure assessment of bank filtered drinking water by combining large-scale catchment-scale emission models with different types of bank filtration fate and transport models for specific locations in the catchment. In addition, it also demonstrates complementary application by comparing emission models with different strengths and weaknesses for the assessment of multiple scenarios on the catchment scale and different levels of complexity for the fate and transport modelling of bank filtration. The model train has been successfully applied for 10 different PFAS-substances including the assessment of a large range of scenarios.  Current limitations for exposure assessment of PFAS at river basin scale require improvement in scientific understanding as well as additional efforts in administrative data collection and inventory development. Current results of the exposure assessment show the very high relevance of legacy pollution from use of fire-fighting foams or from old municipal landfills. On the administrative level, there is a strong need for improved identification and harmonized inventorying of contaminated sites at national and international (EU) level. The lack of robust, openly available information on production, import-export and therefore use volumes of PFAS at national and EU level is strongly hampering exposure assessment. A major effort is urgently needed to provide this information, as it is decisive for a sound environmental exposure assessment, not only for surface water and groundwater.  In regard to scientific advances, there is a need for more and better understanding of the extent of local groundwater pollution, particularly due to the application of fire-fighting foams or to the presence of municipal landfills. Further improvement of the scientific knowledge about the fate of PFAS in the environment, including their partitioning between different phases (air,water, solids) and the transformation of the so called \u201cprecursors\u201d into stable \u201cend-products\u201d like PFOA, PFOS and short-chain substances is needed to enlarge the number of PFAS that can be included into the exposure assessment. A reproducible and standardised analytical parameter for \u201ctotal PFAS\u201d or even \u201ctotal toxicity of PFAS\u201d would be needed to address all relevant PFAS in a combined way as it is a focus of Workpackage 1 of the H2020 PROMISCES project (Togola et al. 2024; Behnisch et al. 2024).", "keywords": ["Groundwater/chemistry", "Groundwater pollution", "emission modelling", "Surface water management", "Groundwater quality", "Per- and polyfluorinated substances (PFAS)", "environmental transport modelling", "Surface water", "environmental fate modelling", "Groundwater endangering"], "contacts": [{"organization": "Zessner, Matthias, Baldwin, Dwight, del Val Alonso, Laura, Derx, Julia, Devau, Nicolas, Janssen, Gijs, Jou Claus, S\u00f2nia, Kittlaus, Steffen, Knoche, Franziska, Liu, Meiqi, Markus, Arjen, Valstar, Johan, Meesters, Joris, Meijers, Erwin, Obeid, Ali A.A., Oudega, Thomas James, Pathak, Devanshi, Sprenger, Christoph, van Gils, Jos, Wicke, Daniel, Wintersen, Arjen, Zhiteneva, Veronika, Groot, Hans,", "roles": ["creator"]}]}, "links": [{"href": "https://doi.org/10.5281/zenodo.14789120"}, {"rel": "self", "type": "application/geo+json", "title": "10.5281/zenodo.14789120", "name": "item", "description": "10.5281/zenodo.14789120", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/10.5281/zenodo.14789120"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "2025-02-28T00:00:00Z"}}, {"id": "10.5424/sjar/2008062-320", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-22T16:21:22Z", "type": "Journal Article", "created": "2013-11-21", "description": "<p>The aim of this experiment was to evaluate the effects of adding DMPP (3,4-dimethylpyrazole phosphate) to urea on nitrate leaching and maize (Zea mays L.) yield over two growing seasons. Two nitrogen (N) levels (optimum and excessive) were applied to an irrigated maize crop under Mediterranean conditions. There were five treatments: optimal N (as urea) and the same dose plus DMPP; optimal N (as urea plus 40 kg N/ha) and the same N dose plus DMPP; and a control with no added N fertilizer. The maize was irrigated with an overhead mobile-line sprinkler system. EnviroSCAN probes were used to determine drainage and evapotranspiration and ceramic cups to obtain soil solution samples at a soil depth of 1.4 m. The use of DMPP with urea reduced nitrate leaching. No phytotoxic effects were observed due to the DMPP. There were no differences in grain yield between treatments with and without DMPP at the same rate of N. When DMPP was applied, sodium was displaced from the soil exchange complex due to increased NH4+ concentration, which also increased the electrical conductivity of soil in the drainage zone.</p>", "keywords": ["ZEA MAYS; APLICACION DE ABONOS; ABONOS NITROGENADOS; UREA; NITRATOS; LIXIVIACION; POLUCION DE AGUAS SUBTERRANEAS; INHIBIDORES DE LA NITRIFICACION; CONTROL DE LA CONTAMINACION; RENDIMIENTO DE CULTIVOS", "NITRIFICATION INHIBITORS", "INHIBIDORES DE LA NITRIFICACION", "NITROGEN FERTILIZERS", "CONTROL DE LA CONTAMINACION", "LEACHING", "POLLUTION CONTROL", "GROUNDWATER POLLUTION", "NITRATES", "Fertilizing", "RENDIMIENTO DE CULTIVOS", "CROP YIELD", "FERTILIZER APPLICATION", "APLICACION DE ABONOS", "ZEA MAYS", "ZEA MAYS; FERTILIZER APPLICATION; NITROGEN FERTILIZERS; UREA; NITRATES; LEACHING; GROUNDWATER POLLUTION; NITRIFICATION INHIBITORS; POLLUTION CONTROL; CROP YIELD", "POLUCION DE AGUAS SUBTERRANEAS", "2. Zero hunger", "ABONOS NITROGENADOS", "0402 animal and dairy science", "04 agricultural and veterinary sciences", "6. Clean water", "NITRATOS", "0401 agriculture", " forestry", " and fisheries", "LIXIVIACION", "UREA"], "contacts": [{"organization": "D\u00edez L\u00f3pez, J.A., Hernaiz, P.,", "roles": ["creator"]}]}, "links": [{"href": "https://doi.org/10.5424/sjar/2008062-320"}, {"rel": "related", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/Spanish%20Journal%20of%20Agricultural%20Research", "name": "related record", "description": "related record", "type": "application/json"}, {"rel": "self", "type": "application/geo+json", "title": "10.5424/sjar/2008062-320", "name": "item", "description": "10.5424/sjar/2008062-320", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/10.5424/sjar/2008062-320"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "2008-06-01T00:00:00Z"}}, {"id": "2268/215300", "type": "Feature", "geometry": null, "properties": {"updated": "2026-09-22T16:22:41Z", "type": "Journal Article", "created": "2017-10-23", "title": "Isotopic composition of nitrogen species in groundwater under agricultural areas: A review", "description": "This work reviews applications of stable isotope analysis to the studies of transport and transformation of N species in groundwater under agricultural areas. It summarizes evidence regarding factors affecting the isotopic composition of NO3-, NH4+ and N2O in subsurface, and discusses the use of 11B, 18O, 13C, 34S, 87Sr/86Sr isotopes to support the analysis of \u03b415N values. The isotopic composition of NO3-, NH4+ and N2O varies depending on their sources and dynamics of N cycle processes. The reported \u03b415N-NO3- values for sources of NO3- are: soil organic N - +3\u2030-+8\u2030, mineral fertilizers - -8\u2030-+7\u2030; manure/household waste - +5\u2030 to +35\u2030. For NH4+ sources, the isotopic signature ranges are: organic matter - +2.4-+4.1\u2030, rainwater - -13.4-+2.3\u2030, mineral fertilizers - -7.4-+5.1\u2030, household waste - +5-+9\u2030; animal manure - +8-+11\u2030. For N2O, isotopic composition depends on isotopic signatures of substrate pools and reaction rates. \u03b415N values of NO3- are influenced by fractionation effects occurring during denitrification (\u025b=5-40\u2030), nitrification (\u025b=5-35\u2030) and DNRA (\u025b not reported). The isotopic signature of NH4+ is also affected by nitrification and DNRA as well as mineralization (\u025b=1\u2030), sorption (\u025b=1-8\u2030), anammox (\u025b=4.3-7.4\u2030) and volatilization (\u025b=25\u2030). As for the N2O, production of N2O leads to its depletion in 15N, whereas consumption - to enrichment in 15N. The magnitude of fractionation effects occurring during the considered processes depends on temperature, pH, DO, C/NO3- ratio, size of the substrate pool, availability of electron donors, water content in subsoil, residence time, land use, hydrogeology. While previous studies have accumulated rich data on isotopic composition of NO3- in groundwater, evidence remains scarce in the cases of NH4+ and N2O. Further research is required to consider variability of \u03b415N-NH4+ and \u03b415N-N2O in groundwater across agricultural ecosystems.", "keywords": ["groundwater pollution", "N anthropogenic sources", "Physique", " chimie", " math\u00e9matiques & sciences de la terre", "0207 environmental engineering", "N cycle processes", "02 engineering and technology", "N isotopes", "15. Life on land", "01 natural sciences", "Geological", " petroleum & mining engineering", "6. Clean water", "Engineering", " computing & technology", "Ing\u00e9nierie", " informatique & technologie", "Sciences de la terre & g\u00e9ographie physique", "12. Responsible consumption", "Physical", " chemical", " mathematical & earth Sciences", "13. Climate action", "stable isotope analysis", "Earth sciences & physical geography", "G\u00e9ologie", " ing\u00e9nierie du p\u00e9trole & des mines", "agriculture", "0105 earth and related environmental sciences"]}, "links": [{"href": "https://orbi.uliege.be/bitstream/2268/215300/1/final%20version.pdf"}, {"href": "https://doi.org/2268/215300"}, {"rel": "related", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/Science%20of%20The%20Total%20Environment", "name": "related record", "description": "related record", "type": "application/json"}, {"rel": "self", "type": "application/geo+json", "title": "2268/215300", "name": "item", "description": "2268/215300", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items/2268/215300"}, {"rel": "collection", "type": "application/json", "title": "Collection", "name": "collection", "description": "Collection", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main"}], "time": {"date": "2018-04-01T00:00:00Z"}}], "links": [{"rel": "self", "type": "application/geo+json", "title": "This document as GeoJSON", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items?keywords=GROUNDWATER+POLLUTION&f=json", "hreflang": "en-US"}, {"rel": "alternate", "type": "text/html", "title": "This document as HTML", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items?keywords=GROUNDWATER+POLLUTION&f=html", "hreflang": "en-US"}, {"rel": "collection", "type": "application/json", "title": "Collection URL", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main", "hreflang": "en-US"}, {"type": "application/geo+json", "rel": "first", "title": "items (first)", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items?keywords=GROUNDWATER+POLLUTION&", "hreflang": "en-US"}, {"rel": "last", "type": "application/geo+json", "title": "items (last)", "href": "https://repository.soilwise-he.eu/cat/collections/metadata:main/items?keywords=GROUNDWATER+POLLUTION&offset=3", "hreflang": "en-US"}], "numberMatched": 3, "numberReturned": 3, "distributedFeatures": [], "timeStamp": "2026-09-23T04:57:05.635611Z"}