Predicting nanomaterials fate in the environment using a spatiotemporal multimedia model

2. [1] doi:10.1039/C4EN00043A

5. Spatiotemporal model of nanomaterial
fate, speciation and bio-uptake in the
environment
Grid cellGrid cellGrid cell
Grid cellGrid cellSoil profile
Grid cellGrid cellWater body Bed sediment
Grid cellGrid cellSoil layer
Biota

6. Soil layer, 𝑙 = 1
Soil layer, 𝑙 = 2
Soil layer, 𝑙 = 3
precipitation and
evapotranspiration
percolation
free NPs
bioturbation
attached NPs
erosion
attached NPs
bio-uptake
NM sources
transformations
Examples of processes modelled:
Transformations for TiO2:
attachment to soil matrix
Bioturbation rate is function
of earthworm density:
𝑘bioturb,𝑙:𝑙+1 =
𝛽𝑤𝑙
𝑑
Empirical bioturbation parameter
Worm density
Layer depth
Bioturbation
rate

7. Examples of processes modelled:
Transformations for TiO2:
heteroaggregation to SPM
Reach Reach
Bed sediment
deposition & resuspension
aggregated NM
bio-uptake
Reach
advection
NM sourceserosion & runoff
aggregated NM
advection
transformation
𝑘hetero = 𝛼hetero 𝑘coll 𝐶spm
Collision
frequency
Attachment
efficiency
Heteroaggregation
rate
SPM particle
concentration

8. Geography
Soil properties
Land use
[1] doi:10.1016/j.envpol.2018.07.108
[2] doi:10.5194/gmd-10-4145-2017
[3] doi:10.3390/hydrology1010063

9. Soil Water
Sediment

10. IMPROVE IMAGE
Resolution: 5x5 km
Year: 2015
Material: TiO2

11. Total mass of nano-TiO2
in the entire catchment,
split by environmental
compartment.
With estuary No estuary
soil
water
sediment
Modelling tides is
important they
make sediments
act more as a sink
Soil acts as a sink

12. Nano-TiO2 predicted
environmental
concentration (PEC) in
soil at the end of 2015.
Soil NM concentrations
Maximum PEC:
2.8 μg/kg soil

13. River and estuary NM concentrations
Influence of dynamic
variables, e.g.
hydrological flows, over
time.
Low flows high
concentrations
Estuary is big
low concentration

14. River and estuary NM concentrations
Influence of dynamic
variables, e.g.
hydrological flows, over
time.
Low flows high
concentrations
Estuary is big
low concentration

15. Importance of attachment
and bioturbation in soils.
Attachment
Bioturbation
Attachment
Bioturbation
Attachment
Bioturbation

16. • Comparing PEC to Predicted No Effect Concentration (PNEC) is
an important part of environmental risk assessment.
• Screening level tools such as SimpleBox4nano useful for this,
but only give “one number” per compartment.
• NanoFASE WSO model useful to validate, compare and scope
changes to such screening level tools.
Towards validating nanomaterial predicted
environmental concentrations from SimpleBox4nano
using the NanoFASE spatiotemporal multimedia fate
model
J.T. Quik, S. Harrison, J. Slootweg, J.A. Meesters, V. Adam, J. Kuenen, S.
Lofts, W. Peijnenburg
Presented at
SETAC Helsinki

17. • One of the most “whole picture” model of ENMs in
existence.
• Demonstrates the importance of non-nano and nano-
specific processes over large spatial and temporal
scales:
• Heteroaggregation drives sedimentation
• Attachment to soil matrix soil acts as a sink
• Bioturbation dominant process that mixes soil
• Tidal dynamics estuarine sediments act as a sink
• Model outputs can be used to validate screening level
models, relevant for chemicals regulation.

18. • Different materials with different chemistry, e.g.:
• Silver dissolution and sulphidation
• Sea model and biotic uptake.
• Longer temporal scales, using emissions data for
2000-2021.
• Larger and different spatial scales.
• Case studies, e.g.: Ag in textiles, Cu applied as
fungicide, Cu as antifoulant ship paint.
• Continue comparisons with SimpleBox4nano, e.g.
comparison of time to steady state.
Biota
𝑘elim
𝑘growth
Stored
fraction, 𝑆𝑓
𝑘uptake

19. This project receives funding from the European Union's Horizon 2020 research and innovation programme under
grant agreement No 646002.