This Excel-based tool implements the SimpleBox v4.04 multimedia fate model and includes a curated library of 3,993 PFAS substances selectable directly within the workbook.
Developed by NovaMechanics Ltd, it simulates the environmental fate, transport, and exposure of chemicals under steady-state and quasi-dynamic conditions across key compartments:
- Air (A)
- Freshwater (FW)
- Marine Water (MW)
- Soil (S)
- Sediment (SD)
30 September 2025
This work has received funding from the European Union’s Horizon Europe research and innovation programme under the PROPLANET project, Grant Agreement No. 101091842.
Access the online version of SimpleBox4Planet here:
🔗 https://www.enaloscloud.novamechanics.com/proplanet/simplebox4planet/
The web tool runs the SimpleBox version 4.04 model published on 05/04/2024, based on the works below:
- Hollander, A.; Schoorl, M.; van de Meent, D. SimpleBox 4.0: Improving the model while keeping it simple…. Chemosphere 2016, 148, 99–107. link
- Schoorl, M.; Hollander, A.; van de Meent, D. SimpleBox 4.0. A multimedia mass balance model for evaluating the fate of chemical substances. RIVM Report 2015. link
- Den Hollander, H.; Van Eijkeren, J.; Van de Meent, D. SimpleBox 3.0: multimedia mass balance model for evaluating the fate of chemicals in the environment. RIVM Report 2004, 601200003. link
- Brandes, L.; Den Hollander, H. SimpleBox 2.0: a nested multimedia fate model for evaluating the environmental fate of chemicals. 1996. link
- Meent, D. SimpleBox: a generic multimedia fate evaluation model; National Institute of Public Health and Environmental Protection, 1993. link
Upstream repositories and archives:
- GitHub repository: https://github.com/rivm-syso/SimpleBox/tree/xl_v4.0.4
- Zenodo repository: https://zenodo.org/records/10934046
The Excel workbook (SimpleBox4Planet_PFAS.xlsx) expects the following user inputs on the Input sheet:
- Substance selection (PFAS): choose one entry from the built-in list of 3,993 PFAS.
- Emission scenario: specify emissions per compartment (e.g., air, freshwater, soil) in appropriate units (e.g., kg·day⁻¹).
- Environmental settings: provide or confirm scenario parameters (e.g., compartment volumes/areas, intermedia transfer rates, degradation half-lives, partitioning).
- Run/Calculate: update calculations to generate steady-state / quasi-dynamic masses, concentrations, and inter-compartment fluxes.
Outputs (on the Results sheet) typically include:
- Predicted concentrations and masses per compartment
- Fluxes between compartments
- High-level indicators suitable for screening-level assessments
The spreadsheet is included in this repository:
SimpleBox4Planet_PFAS.xlsx– Excel model implementing SimpleBox v4.04 with 3,993 PFAS.
A permanent archive (Zenodo) will be linked here once available:
📌 DOI: to be assigned upon deposit
This repository is released under the Apache License 2.0.
You can view the full license text here:
🔗 http://www.apache.org/licenses/LICENSE-2.0
If you use SimpleBox4Planet in your work, please cite:
Mintis, D. G.; Afantitis, A.; Melagraki, G.; Lynch, I.; Varsou, D.-D.; Kolokathis, P. D.; Tsoumanis, A.; Seif, J. P.
SimpleBox4Planet: A web-enabled environmental fate model extended for PFAS assessment via the Enalos Cloud Platform. Preprint / Article in preparation, 2025.
For questions or feedback, please contact:
📧 info@novamechanics.com