PROMISCES - Preventing Recalcitrant Organic Mobile Industrial chemicalS for Circular Economy in the Soil-sediment-water system - 101036449

Part of EU Open Research Repository
Published February 28, 2025 | Version Version subject to European Commision approval
Report Open

Deliverable D2.3 - Toolbox fate & transport modelling of PMTs in the environment

Creators

  • 1. EDMO icon Deltares
  • 2. ROR icon University of Gdańsk
  • 3. QSAR Lab LTD
  • 4. ROR icon National Institute for Public Health and the Environment
  • 5. ROR icon Berlin Centre of Competence for Water
  • 6. ROR icon Bureau de Recherches Géologiques et Minières
  • 7. ROR icon EURECAT Centre Tecnològic de Catalunya
  • 8. ROR icon TU Wien
  • 9. TU-Wien

Description

The "Toolbox Fate & Transport Modelling of PMTs in the Environment" is a key deliverable from the H2020 PROMISCES project. This toolbox is a demonstrator that includes a collection of models developed in the PROMISCES project which are designed to assess the fate and transport of persistent, mobile, and toxic substances (PMTs) across various scales (local, regional) and conditions (e.g., urban run-off, bank filtration, unsaturated zone, groundwater).
This toolbox presents the basic information with links to the software and model input files with which the models can be run. This deliverable is intended for qualified modellers. It is complementary with the Guidance document, deliverable D2.4 (Zessner et al., 2025) which describes how to apply modelling tools in a tiered way as part of predictive risk assessment.


This report provides an overview of innovative approaches for fate, transport, and exposure to persistent, mobile, and potentially toxic (PM(T)) chemicals, presenting model results from the PROMISCES project. It includes:
• Models for identifying PM(T) properties using in silico approaches (QSPR/QSAR, Artificial Intelligence, machine learning).
• Screening level models for PM(T) exposure assessment.
• Models for soil-groundwater interaction.
• Fate and transport models for bank filtration sites.
• Fate and transport models in urban contexts.
• Emission models on a catchment scale.
Each model includes a technical description, followed by an explanation of how the models were improved and links to executable files and input data.

Files

PROMISCES_D2.3_Toolbox-fate-transport-modelling_v1.pdf

Files (1.8 MB)

Additional details

Funding

European Commission
PROMISCES - Preventing Recalcitrant Organic Mobile Industrial chemicalS for Circular Economy in the Soil-sediment-water system 101036449