Multimedia modeling of engineered nanoparticles with simpleBox4nano: Model definition and evaluation

Environmental Science and Technology

Volumn 48, Issue 10, 2014, Pages 5726-5736

  Meesters, Johannes A J ^a   Koelmans, Albert A ^b   Quik, Joris T K ^b   Hendriks, A Jan ^a   Van De Meent, Dik ^a  

^a RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^b WAGENINGEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

RATE CONSTANTS; RISK ASSESSMENT;

BACKGROUND CONCENTRATION; ENGINEERED NANOPARTICLES; ENVIRONMENTAL ASSESSMENT; ENVIRONMENTAL CONCENTRATION; ENVIRONMENTAL RISK ASSESSMENT; FIRST-ORDER RATE CONSTANTS; MASS BALANCE EQUATIONS; PREDICTED ENVIRONMENTAL CONCENTRATIONS;

NANOPARTICLES;

NANOPARTICLE; RAIN; SURFACE WATER;

AGGREGATION; COLLOID; CONCENTRATION (COMPOSITION); ENGINEERING; ENVIRONMENTAL ASSESSMENT; ENVIRONMENTAL RISK; FLOW MODELING; NUMERICAL MODEL; PARTICLE SIZE;

AEROSOL; AIR; ARTICLE; ATMOSPHERE; COLLOID; CONCENTRATION (PARAMETERS); DISPERSION; DISSOLUTION; ENVIRONMENTAL PARAMETERS; FLOW KINETICS; MATHEMATICS; MOLECULAR MODEL; NANOENGINEERING; RISK MANAGEMENT; SEDIMENT; SIMPLEBOX4NANO MODEL; SOIL; STEADY STATE; SWITZERLAND; TRANSPORT KINETICS; VALIDITY;

SWITZERLAND;

AEROSOLS; COLLOIDS; ENVIRONMENTAL POLLUTANTS; ENVIRONMENTAL POLLUTION; GEOLOGIC SEDIMENTS; KINETICS; MODELS, THEORETICAL; MULTIMEDIA; NANOPARTICLES; SOIL; SWITZERLAND; UNCERTAINTY; WATER;

EID: 84901022828     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es500548h     Document Type: Article

References (62)

1. Abott, L. C.; Maynard, A. D. Exposure assessment approaches for engineered nanomaterials Risk. Anal. 2010, 30, 1634-1644
2. Wigginton, N. S.; Haus, K. L.; Hochella, M. F., Jr. Aquatic environmental nanoparticles J. Environ. Monitor. 2007, 9, 1306-1316
3. Aschberger, K.; Micheletti, C.; Sokull-Klüttgen, B.; Christensen, F. M. Analysis of currently available data for characterising the risk of engineered nanomaterials to the environment and human health: Lessons learned from four case studies Environ. Int. 2011, 37, 1143-1156
4. Pettitt, M. E.; Lead, J. R. Minimum physicochemical characterisation requirements for nanomaterial regulation Environ. Int. 2013, 52, 41-50
5. Boxall, A. B. A.; Chaudry, Q.; Sinclair, C.; Jones, A.; Aitken, R.; Jefferson, B.; Watts, C. D. Current and Future Predicted Environmental Exposure to Engineered Nanoparticles; Central Science Library York for the Department of the Environment and Rural Affairs: Sand Hutton, U.K., 2007.
6. Meesters, J. A. J.; Veltman, K.; Hendriks, A. J.; van de Meent, D. Environmental Exposure Assessment of Engineered Nanoparticles: Why REACH Needs Adjustment Integ. Environ. Assess. Man. 2013, 9, e15-e26
7. Praetorius, A.; Arvidsson, R.; Molander, S.; Scheringer, M. Facing complexity through informed simplifications: A research agenda for aquatic exposure assessment of nanoparticles Environ. Sci. Proc. Imp. 2013, 15, 161-168 2013
8. Hendren, C. O.; Lowry, M.; Grieger, K. D.; Money, E. S.; Johnston, J. M.; Wiesner, M. R.; Beaulieu, S. M. Modeling approaches for characterizing and evaluating environmental exposure to engineered nanomaterials in support of risk-based decision making Environ. Sci. Technol. 2013, 47, 1190-2105
9. Gottschalk, F.; Sonderer, T.; Scholz, R. W.; Nowack, B. Possibilities and limitations of modeling environmental exposure to engineered nanomaterials by probabilistic material flow analysis Environ. Toxicol. Chem. 2010, 29, 1036-1048
10. 2 particles J. Environ. Modell. Software 2010, 25, 320-332
11. Gottschalk, F.; Sun, T.-Y.; Nowack, B. Environmental concentrations of engineered nanomaterials: Review of modelling and analytical studies Environ. Pollut. 2013, 181, 287-300
12. European Chemical Agency [ECHA]. Guidance on Information Requirements and Chemical Safety Assessment Chapter R.16: Environmental Exposure Estimation; ECHA-10-G-06-EN; ECHA, Helsinki, Finland, 2012.
13. Liu, H. H.; Cohen, Y. Multimedia environmental distribution of engineered nanomaterials Environ. Sci. Technol. 2014, 48, 3281-3292
14. Van de Meent, D. SimpleBox: a generic multimedia fate evaluation model; RIVM Report No. 222501002; National Institute of Public Health and the Environment (RIVM): Bilthoven, The Netherlands, 1993.
15. Brandes, L. J.; den Hollander, H.; van de Meent, D. SimpleBox 2.0: a nested multimedia fat model for evaluating the environmental fat of chemicals; RIVM Report No. 670208001; National Institute of Public Health and the Environment: Bilthoven, The Netherlands, 1996.
16. Den Hollander, H.; van de Meent, D. Model parameters and equations used in SimpleBox 3.0; RIVM Report No. 601200 003; National Institute of Public Health and the Environment (RIVM): Bilthoven, The Netherlands, 2004.
17. Quik, J. T. K.; Vonk, J. A.; Hansen, S. F.; Baun, A.; van de Meent, D. How to assess exposure of aquatic organisms to manufactured nanoparticles Environ. Int. 2011, 37, 1068-1077
18. Mueller, N. C.; Nowack, B. Exposure Modeling of Engineered Nanoparticles in the Environment Environ. Sci. Technol. 2008, 42, 4447-4453
19. Hotze, E. M.; Tanapon, P.; Lowry, G. V. Nanoparticle aggregation: challenges to understanding transport and reactivity in the environment J. Environ. Qual. 2010, 39, 1909-1924
20. Quik, J. T. K.; Stuart, M. C.; Wouterse, M.; Peijnenburg, W.; Hendriks, A. J.; van de Meent, D. Natural colloids are the dominant factor in the sedimentation of nanoparticles Environ. Toxicol. Chem. 2012, 31, 1019-1022
21. Seinfeld, J. H.; Pandis, S. N. Atmospheric Chemistry and Physics: From Air Pollution to Climate Change; John Wiley & Sons: New York, 2006.
22. Mackay, D. Multimedia Environmental Models The Fugacity Approach; Lewis Publishers: London, U.K., 2003.
23. Van de Meent, D.; Hollander, A.; Peijnenburg; Breure, T. Fate and transport of contaminants. In Ecological Impacts of Toxic Chemicals; Sanchez-Bayo, F.; van den Brink, P. J.; Mann, R. M., Eds.; Bentham Science Publishers: Oak Park, IL, 2011; pp 13-42.
24. Tiwari, A. J.; Marr, L. C. The role of atmospheric transformations in determining environmental impacts of carbonaceous nanoparticles J. Environ. Qual. 2010, 39, 1883-1895
25. Batley, G. E.; Kirby, J. K.; McLaughlin, M. J. Fate and risks of nanomaterials in aquatic and terrestrial environments Acc. Chem. Res. 2013, 46, 854-862
26. Jones, E. H.; Su, C. Fate and transport of elemental copper (Cu0) nanoparticles through saturated porous media in the presence of organic materials Water. Res. 2012, 46, 2445-2456
27. Lead, J. R.; Davison, W.; Hamilton-Taylor, J.; Buffle, J. Characterizing colloidal material in natural waters Aquatic Geochem. 1997, 3, 213-232
28. Stokes, G. G. On the effect of internal friction of fluids on the motion of pendulums. Trans. Cambridge Phil. Soc. IX 1850, 8.
29. Petosa, A. R.; Jaisi, D. P.; Quevedo, I. R.; Elimelech, M.; Tufenkji, N. Aggregation and deposition of engineered nanomaterials in aquatic environments: Role of physicochemical interactions Environ. Sci. Technol. 2010, 44, 6532-6549
30. Kumar, P.; Fennell, P.; Robins, A. Comparison of the behaviour of manufactured and other airborne nanoparticles and the consequences for prioritising research and regulation activities J. Nanopart. Res. 2010, 12, 1523-1530
31. Ketzel, M.; Berkowicz, R. Modelling the fate of ultrafine particles from exhaust pipe to rural background: an analysis of time scales for dilution, coagulation and deposition Atmos. Environ. 2004, 38, 2639-2652
32. Jaenicke, R. Aerosol Cloud-Climate Interactions; Academic Press, Inc.: San Diego, 1993.
33. Kulmala, M.; Dal Maso, J.; Makela, J. M.; Pirjola, J.; Vakeva, M.; Aalto, P.; Miikulainen, P.; Hameri, K.; ODowd, C. D. On the formation, growth and composition of nucleation mode particles Tellus 2001, 53B, 479-490
34. Lyklema, H. Fundamentals of Interface and Colloid Science; Elsevier Academic Press: Amsterdam, 2005.
35. Derjaguin, B. V.; Landau, L. D. Theory of stability of strongly charged lyophobic sols and the adhesion of strongly charged particles in solutions of electrolytes Acta. Physicochim. U.R.S.S. 1941, 14, 633-662
36. Verwey, E. J. W.; Overbeek, J. T. G. Theory of the Stability of Lyophobic Colloids; Elsevier: Amsterdam, 1948.
37. Lin, S.; Wiesner, M. R. Theoretical investigation on the interaction between a soft particle and a rigid surface Chem. Eng. J. 2012, 191, 297-305
38. Arvidsson, R.; Molander, S.; Sandén, B. A.; Hassellov, M. Challenges in exposure modeling of nanoparticles in aquatic environments Hum. Ecol. Risk. Assess. 2011, 17, 245-262
39. Quik, J. T. K. Fate of nanoparticles in the aquatic environment, removal of engineered nanomaterials from the water phase under environmental conditions. Ph.D. Dissertation, Radboud University Nijmegen, The Netherlands, 2013.
40. Keller, A. A.; Wang, H.; Zhou, D.; Lenihan, H. S.; Cherr, G.; Cardinale, B. J.; Miller, R.; Ji, Z. Stability and aggregation of metal oxide nanoparticles in natural aqueous matrices Environ. Sci. Technol. 2010, 44, 1962-1967
41. Tufenkji, N.; Elimelech, M. Correlation equation for predicting single-collector efficiency in physicochemical filtration in saturated porous media Environ. Sci. Technol. 2004, 38, 529-536
42. 2 in saturated porous media: Effects of pH, surfactants and flow velocity Water. Res. 2011, 45, 839-851
43. Ruckenstein, E.; Prieve, D. C. Rate of deposition of Brownian particles under the action of London and double-layer forces J. Chem. Soc., Faraday Trans. 2 1973, 69, 1522-1536
44. Spielman, L. A.; Friedlander, S. K. Role of the electrical double layer in particle deposition by convective diffusion J. Colloid Interface Sci. 1974, 46, 22-31 1974
45. Wang, X.; Zhang, L.; Moran, M. D. Uncertainty assessment of current size-resolved parameterizations for below-cloud particle scavenging by rain Atmos. Chem. Phys. Discuss. 2010, 10, 2503-2548
46. Gong, S. L.; Barrie, L. A.; Blanchet, J.-P.; von Salzen, K.; Lohmann, U.; Lesins, G.; Spacek, L.; Zhang, L. M.; Girard, E.; Lin, H.; Leaitch, R.; Leighton, H.; Chylek, P.; Huang, P. Canadian aerosol module: a size-segregated simulation of atmospheric aerosol processes for climate and air quality models: 1. module development J. Geophys. Res. 2003, 108 (D1) 3-16
47. Gong, W.; Dastoor, A. P.; Bouchet, V. S.; Gong, S. L.; Makar, P. A.; Moran, M. D.; Pabla, B.; Ḿenard, S.; Crevier, L.-P.; Cousineau, S.; Venkatesh, S. Cloud processing of gases and aerosols in a regional air quality model (AURAMS) Atmos. Res. 2006, 82, 248-275
48. Slinn, W. G. N. Predictions for particle deposition to vegetative surfaces Atmos. Environ. 1982, 16, 1785-1794
49. Nho-Kim, E.-Y.; Michou, M.; Peuch, V.-H. Parameterization of size-dependent particle dry deposition velocities for global modeling Atmos. Environ. 2004, 38, 1933-1942
50. 2 nanoparticles in the Rhine River Environ. Sci. Technol. 2012, 46, 6705-6713
51. Bleeker, E. A. J.; de Jong, W. H.; Geertsma, R. E.; Groenewold, M.; Heugens, E. H. W.; Koers-Jacquemijns, M.; van de Meent, D.; Popma, J. R.; Rietveld, A. G.; Wijnhoven, S. W. P. Considerations on the EU definition of a nanomaterial: Science to support policy making Regul. Toxicol. Pharmacol. 2013, 65, 119-125
52. Liu, J.; Hurt, R. H. Ion release kinetics and particle persistence in aqueous nano-silver colloids Environ. Sci. Technol. 2010, 44, 2169-2175
53. Gottschalk, F.; Nowack, B. The release of engineered nanomaterials to the environment J. Environ. Monitor. 2011, 13, 1145-1155
54. Nowack, B.; Ranville, J. F.; Diamond, S.; Gallego-Urrea, J. A.; Metcalfe, C.; Rose, J.; Horne, N.; Koelmans, A. A.; Klaine, S. J. Potential scenarios for nanomaterial release and subsequent alteration in the environment Environ. Toxicol. Chem. 2012, 31, 50-59
55. Hendren, C. O.; Mesnard, X.; Droge, J.; Wiesner, M. R. Estimating production data for five engineered nanomaterials as a basis for exposure assessment Environ. Sci. Technol. 2011, 45, 2562-2569
56. Pan, B.; Xing, B. Applications and implications of manufactured nanoparticles in soils: A review Eur. J. Soil. Sci. 2012, 63, 437-456
57. Lerner, R. N.; Lu, Q.; Zeng, H.; Liu, Y. The effects of biofilm on the transport of stabilized zerovalent iron nanoparticles in saturated porous media Water Res. 2012, 46, 975-985
58. Quik, J. T. K.; Velzeboer, I.; Wouterse, M.; Koelmans, A. A.; van de Meent, D. Heteroaggregation and sedimentation rates for nanomaterials in natural waters Water Res. 2014, 48, 269-279
59. David, C. A.; Galceran, J.; Rey-Castro, C.; Puy, J.; Companys, E.; Salvador, J.; Monné, J.; Wallace, R.; Vakourov, A. Dissolution kinetics and solubility of ZnO nanoparticles followed by AGNES J. Phys. Chem. C 2012, 116, 11758-11767
60. Poot, A.; Meerman, E.; Gillissen, F.; Koelmans, A. A. A kinetic approach to evaluate the association of acid volatile sulfide and simultaneously extracted metals in aquatic sediments Environ. Toxicol. Chem. 2009, 28, 711-717
61. 2, ZnO, Ag, CNT, fullerenes) for different regions Environ. Sci. Technol. 2009, 43, 9216-9222
62. Borm, P.; Klaessig, F. C.; Landry, T. D.; Moudgil, B.; Pauluhn, J.; Thomas, K.; Trottier, R.; Wood, S. Research strategies for safety evaluation of nanomaterials, part V: Role of dissolution in biological fate and effects of nanoscale particles Toxicol. Sci. 2006, 90, 23-32