Environmental Fate Modeling of Engineered Nanomaterials

Environmental fate modeling of engineered nanomaterials (ENMs) seeks to predict how nanoscale materials released from industrial, consumer and medical applications are transported, transformed and accumulated across air, water, soil and sediment compartments. These models integrate emission inventories, life-cycle stages and mechanistic processes such as dissolution, homo- and heteroaggregation, sedimentation and advection. Multimedia compartmental frameworks allow researchers to estimate predicted environmental concentrations (PECs) under different use and end-of-life scenarios. Recent advances have introduced probabilistic approaches to quantify uncertainties arising from variability in production volumes, physicochemical properties and environmental conditions. Spatially explicit models now resolve urban and regional hotspots by linking emission sources to detailed hydrological and meteorological data. Form-specific models further distinguish between pristine nanoparticles, dissolved ions and transformed aggregates, recognising that transformation pathways strongly influence bioavailability and ecological risk. Collectively, these developments underpin exposure assessments, guide regulatory thresholds and inform the design of safer nanomaterials by identifying critical release and transformation processes.

Research from Nature Portfolio

A seminal study quantified historical and future releases of common ENMs (CeO₂, SiO₂ and Ag) over the period 1950–2050 by coupling commercial-use inventories with environmental fate models. It distinguished between use-phase and end-of-life emissions and validated model predictions against available measurements in freshwater. Results revealed that predicted concentrations of CeO₂ remain in the picogram to nanogram per litre range, while SiO₂ levels are roughly three orders of magnitude higher. The analysis highlighted that, despite low average risks at a global scale, organisms near point sources such as treatment plants may experience elevated exposures. This work laid a foundation for form-specific and probabilistic risk assessments by demonstrating how long-term use trends and release pathways shape environmental PECs.

Environmental Fate Modeling of Engineered Nanomaterials publication trend

The graph below shows the total number of articles in environmental fate modeling of engineered nanomaterials across all publications each year (not limited to Nature Index journals).

Technical terms

Engineered nanomaterial (ENM): Material deliberately manufactured with at least one dimension between 1 and 100 nm, possessing unique physicochemical properties.

Predicted environmental concentration (PEC): Modelled estimate of the concentration of a contaminant in a given environmental compartment.

Heteroaggregation: Kinetically controlled process in which nanoparticles attach to naturally occurring colloids or suspended solids.

Attachment efficiency (α): Dimensionless parameter quantifying the probability of particle–particle attachment per collision event.

Multimedia compartmental modelling: Framework that divides the environment into interconnected compartments (air, water, soil, sediment) to simulate contaminant transport and transformation.

Form-specific modelling: Approach that treats different physical or chemical forms of a nanomaterial (pristine, dissolved, aggregated) separately in fate and risk assessments.

References

1. Analysis of Engineered Nanoparticles in Seawater Using ICP-MS-Based Technology: From Negative to Positive Samples. Molecules (2023).
2. Risks, Release and Concentrations of Engineered Nanomaterial in the Environment. Scientific Reports (2018).
3. Multimedia environmental fate and speciation of engineered nanoparticles: a probabilistic modeling approach. Environmental Science Nano (2016).
4. Emission and fate modelling framework for engineered nanoparticles in urban aquatic systems at high spatial and temporal resolution. Environmental Science Nano (2018).
5. Strategies for determining heteroaggregation attachment efficiencies of engineered nanoparticles in aquatic environments. Environmental Science Nano (2020).
6. Form‐Specific and Probabilistic Environmental Risk Assessment of 3 Engineered Nanomaterials (Nano‐Ag, Nano‐TiO2, and Nano‐ZnO) in European Freshwaters. Environmental Toxicology and Chemistry (2021).