The state of multimedia mass-balance modeling in environmental science and decision-making

Environmental Science and Technology

Volumn 44, Issue 22, 2010, Pages 8360-8364

  MacLeod, Matthew ^a   Scheringer, Martin ^a   McKone, Thomas E ^b   Hungerbuhler, Konrad ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMAGNIFICATION; CHEMICAL PATHWAYS; ENVIRONMENTAL SCIENCE; FUGACITY MODEL; MACLEOD; MASS BALANCING; MASS-BALANCE MODELING;

BIOCHEMISTRY; SULFUR COMPOUNDS;

DECISION MAKING;

PERFLUOROOCTANOIC ACID;

BIOACCUMULATION; DECISION MAKING; MASS BALANCE; NUMERICAL MODEL;

AIR POLLUTION; ARTICLE; DECISION MAKING; DECISION SUPPORT SYSTEM; DEGRADATION; ENVIRONMENT; ENVIRONMENTAL IMPACT; ENVIRONMENTAL PROTECTION; GOVERNMENT; LIFE CYCLE ASSESSMENT; MASS; MODEL; SOIL POLLUTION; THERMODYNAMICS; UNCERTAINTY; WATER POLLUTION;

ATMOSPHERE; DECISION SUPPORT TECHNIQUES; ECOLOGICAL AND ENVIRONMENTAL PHENOMENA; ENVIRONMENT; ENVIRONMENTAL POLLUTANTS; MODELS, CHEMICAL; PLANTS; SOIL;

EID: 78449238274     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es100968w     Document Type: Article

References (44)

1. Baughman, G. L.; Lassiter, R. R. Prediction of Environmental Pollutant Concentration. In Estimating the Hazard of Chemical Substances to Aquatic Life; ASTM STP 657; Cairns, J., Jr., Dickson, K. L., Maki, A. W., Eds.; American Society for Testing and Materials: West Conshohocken, PA, 1978; pp 35 - 54.
2. Mackay, D. Finding fugacity feasible Environ. Sci. Technol. 1979, 13 (10) 1218-1223
3. Mackay, D.; Paterson, S. Calculating fugacity Environ. Sci. Technol. 1981, 15 (9) 1006-1014
4. Mackay, D.; Paterson, S. Fugacity revisited. The fugacity approach to environmental transport Environ. Sci. Technol. 1982, 16 (12) A654-A660
5. Mackay, D. Finding fugacity feasible, fruitful and fun Environ. Toxicol. Chem. 2004, 23 (10) 2282-2289
6. Fenner, K.; Scheringer, M.; MacLeod, M.; Matthies, M.; McKone, T.; Stroebe, M.; Beyer, A.; Bonnell, M.; Le Gall, A.; Klasmeier, J.; Mackay, D.; Van De Meent, D.; Pennington, D.; Scharenberg, B.; Suzuki, N.; Wania, F. Comparing estimates of persistence and long-range transport potential among multimedia models Environ. Sci. Technol. 2005, 39 (7) 1932-1942
7. Gobas, F. A. A model for predicting the bioaccumulation of hydrophobic organic chemicals in aquatic food-webs: Application to Lake Ontario Ecol. Model. 1993, 69 (1-2) 1-17
8. Gobas, F. A.; Morrison, H. A. Bioconcentration and bioaccumulation in the aquatic environment. In Handbook of Property Estimation Methods for Chemicals: Environmental and Health Sciences; Boethling, R.; Mackay, D., Eds.; CRC Press: Boca Raton, FL, 1999; pp 139 - 232.
9. Wania, F.; Mackay, D. Global fractionation and cold condensation of low volatility organochlorine compounds in polar regions Ambio 1993, 22, 10-18
10. Wania, F.; Su, Y. Quantifying the global fractionation of polychlorinated biphenyls Ambio 2004, 33 (3) 161-168
11. Scheringer, M.; Wegmann, F.; Fenner, K.; Hungerbühler, K. Investigation of the cold condensation of persistent organic pollutants with a global multimedia fate model Environ. Sci. Technol. 2000, 34 (9) 1842-1850
12. McKone, T. E.; MacLeod, M. Tracking multiple pathways of human exposure to persistent multimedia pollutants: Regional, continental and global-scale models Ann. Rev. Environ. Resour. 2003, 463-492
13. MacLeod, M.; Woodfine, D.; Brimacombe, J.; Toose, L.; Mackay, D. A dynamic mass budget for toxaphene in North America Environ. Toxicol. Chem. 2002, 21 (8) 1628-1637
14. Scheringer, M.; Stroebe, M.; Wania, F.; Wegmann, F.; Hungerbühler, K. The effect of export to the deep sea on the long-range transport potential of persistent organic pollutants Environ. Sc. Pollut. Res. 2004, 11 (1) 41-48
15. Schenker, U.; MacLeod, M.; Scheringer, M.; Hungerbühler, K. Improving data quality for environmental fate models: A least-squares adjustment procedure for harmonizing physicochemical properties of organic compounds Environ. Sci. Technol. 2005, 39 (21) 8434-8441
16. Jaworska, J. S.; Boethling, R. S.; Howard, P. H. Recent developments in broadly applicable structure-biodegradability relationships Environ. Toxicol. Chem. 2003, 22 (8) 1710-1723
17. EUSES. European Unified System for the Evaluation of Substances, Consumer Products Safety and Quality, European Commission. http://ecb.jrc.ec.europa.eu/ euses/ (accessed October 24, 2008).
18. McKone, T. E. CalTOX: A Multimedia Exposure Model for Hazardous Waste Sites; Lawrence Livermore National Laboratory: Livermore, CA, 1993.
19. CEAM. Center for Exposure Assessment Modeling, United States Environmental Protection Agency. http://www.epa.gov/ceampubl/index.html (accessed June 2010).
20. PBTProfiler. Persistent, Bioaccumulative and Toxic Profiles Estimated for Organic Chemicals. http://www.pbtprofiler.net/ (accessed October 24, 2008).
21. EPISuite. Estimation Program Interface Suite Version 3.12. http://www.epa.gov/oppt/exposure/pubs/episuite.htm (accessed October 24, 2008).
22. Booty, W. G.; Resler, O.; McCrimmon, C. Mass balance modelling of priority toxic chemicals within the Great Lakes toxic chemical decision support system: RateCon model results for Lake Ontario and Lake Erie Environ. Model. Software 2004, 20 (6) 671-688
23. USEPA. United States Environmental Protection Agency Lake Michigan Mass Balance Project. http://www.epa.gov/glnpo/lmmb/project.html (accessed October 23, 2008).
24. MacLeod, M.; Riley, W. J.; McKone, T. E. Assessing the influence of climate variability on atmospheric concentrations of polychlorinated biphenyls using a global-scale mass balance model (BETR Global) Environ. Sci. Technol. 2005, 39 (17) 6749-6756
25. Wania, F.; Mackay, D. The evolution of mass balance models of persistent pollutant fate in the environment Environ. Pollut. 1999, 100 (1) 223-240
26. Lammel, G. Effects of time-averaging climate parameters on predicted multicompartmental fate of pesticides and POPs Environ. Pollut. 2004, 128 (1-2) 291-302
27. Hansen, K. M.; Christensen, J. H.; Brandt, J.; Frohn, L. M.; Geels, C. Modelling atmospheric transport of a-hexachlorocyclohexane in the Northern Hemisphere with a 3-D dynamical model: DEHM-POP Atmos. Chem. Phys. 2004, 4, 1125-1137
28. Malanichev, A.; Mantseva, E.; Shatalov, V.; Strukov, B.; Vulykh, N. Numerical evaluation of the PCBs transport over the Northern Hemisphere Environ. Pollut. 2004, 128 (1-2) 279-289
29. Koziol, A. S.; Pudykiewicz, J. A. Global-scale environmental transport of persistent organic pollutants Chemosphere 2001, 45 (8) 1181-1200
30. Leip, A.; Lammel, G. Indicators for persistence and long-range transport potential as derived from multicompartment chemistry-transport modeling Environ. Pollut. 2004, 128 (1-2) 205-221
31. Ma, J.; Venkatesh, S.; Li, Y.-F.; Zuohao, C.; Daggupaty, S. Tracking toxaphene in the North American Great Lakes Basin. 2. A strong episodic long-range transport event Environ. Sci. Technol. 2005, 39 (21) 8132-8141
32. Oreskes, N. The Role of Quantitative Models in Science; Princeton University Press: Princeton, NJ, 2003.
33. Cowan-Ellsberry, C.; McLachlan, M.; Arnot, J. A.; MacLeod, M.; McKone, T. E.; Wania, F. Modeling exposure to persistent chemicals in hazard and risk assessment Integr. Environ. Assess. Manage. 2009, 5 (4) 662-679
34. Macdonald, R. W.; Barrie, L. A.; Bidleman, T. F. D. M. L.; Gregor, D. J.; Semkin, R. G.; Strachan, W. M. J.; Li, Y. F.; Wania, F.; Alaeee, M.; Alexeeva, L. B.; Backus, S. M.; Bailey, R.; Bewers, J. M.; Gobeil, C.; Halsall, C. J.; Harner, T.; Hoff, J. T.; Jantunen, L. M. M.; Lockhart, W. L.; Mackay, D.; Muir, D. C. G.; Pudykiewicz, J.; Reimer, K. J.; Smith, J. N.; Stern, G. A.; Schroeder, W. H.; Wagemann, R.; Yunker, M. B. Contaminants in the Canadian Arctic: 5 years of progress in understanding sources, occurrence and pathways Sci. Total Environ. 2000, 254 (2-3) 93-234
35. Armitage, J.; Cousins, I. T.; Buck, R. C.; Prevedouros, K.; Russell, M. H.; MacLeod, M.; Korzeniowski, S. H. Modeling global-scale fate and transport of perfluorooctanoate emitted from direct sources Environ. Sci. Technol. 2006, 40 (22) 6969-6975
36. Wania, F. A global mass balance analysis of the source of perfluorocarboxylic acids in the Arctic Ocean Environ. Sci. Technol. 2007, 41, 4529-4535
37. Schenker, U.; Scheringer, M.; MacLeod, M.; Martin, J. W.; Cousins, I. T.; Hungerbühler, K. Contribution of volatile precursor substances to the flux of perfluorooctanoate to the Arctic Environ. Sci. Technol. 2008, 42 (10) 3710-3716
38. MacLeod, M.; Scheringer, M.; Podey, H.; Jones, K. C.; Hungerbühler, K. The origin and significance of short-term variability of semi-volatile contaminants in air Environ. Sci. Technol. 2007, 41 (8) 2827-2832
39. Jantunen, L. M.; Bidleman, T. Air-water gas exchange of hexachlorocyclohexanes (HCHs) and the enatiomers of a-HCH in Arctic regions J. Geophys. Res. 1996, 101, 28837-28246; Errata: 28 102, 19279-19282)
40. National Research Council. Models in Environmental Regulatory Decision Making; Report of the Committee on Models in the Regulatory Decision Process, Board on Environmental Studies and Toxicology, Division on Earth and Life Studies. http://www.nap.edu/catalog.php?record-id=11972; National Research Council of the National Academies: Washington, DC, 2007.
41. Wegmann, F.; Cavin, L.; MacLeod, M.; Scheringer, M.; Hungerbühler, K. The OECD software tool for screening chemicals for persistence and long-range transport potential Environ. Model. Software 2008, 24 (2) 228-237
42. Arnot, J.; Mackay, D.; Webster, E.; Southwood, J. Screening level risk assessment model for chemical fate and effects in the environment Environ. Sci. Technol. 2006, 40 (7) 2316-2323
43. Rosenbaum, R. K.; Bachmann, T. M.; Gold, L. S.; Huijbregts, M. A. J.; Jolliet, O.; Juraske, R.; Koehler, A.; Larsen, H. F.; MacLeod, M.; Margni, M.; McKone, T. E.; Payet, J.; Schumacher, M.; van de Meent, D.; Hauschild, M. Z. USETox-The UNEP-SETAC toxicity model: Recommended characterisation factors for human toxicity and freshwater ecotoxicity in life cycle impact assessment Int. J. Life Cycle Assess. 2008, 13 (7) 532-546
44. Hauschild, M. Z.; Huijbregts, M. A. J.; Jolliet, O.; MacLeod, M.; Margni, M.; van de Meent, D.; Rosenbaum, R.; McKone, T. E. Building a model based on scientific consensus for life cycle impact assessment of chemicals: The search for harmony and parsimony Environ. Sci. Technol. 2008, 42 (19) 7032-7037