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Fate factors and emission flux estimates for emerging contaminants in surface waters

Department of Civil and Environmental Engineering, The University of Michigan, 1351 Beal Avenue, Ann Arbor, Michigan 48109-2125, USA

Special Issues: Pollution and Chemicals in the Environment

Pharmaceuticals, personal care products, hormones, and wastewater products are emerging environmental concerns for manifold reasons, including the potential of some compounds found in these products for endocrine disruption at a very low chronic exposure level. The environmental occurrences and sources of these contaminants in the water, soil, sediment and biota in European nations and the United States are well documented. This work reports a screening-level emission and fate assessment of thirty compounds, listed in the National Reconnaissance of the United States Geological Survey (USGS, 1999–2000) as the most frequently detected organic wastewater contaminants in U.S. streams and rivers. Estimations of the surface water fate factors were based on Level II and Level III multimedia fugacity models for a 1000 km2 model environment, the size of a typical county in the eastern United States. The compounds are categorized into three groups based upon the sensitivity of their predicted surface water fate factors to uncertainties in their physicochemical property values and the landscape parameters. The environmental fate factors, mass distributions, and loss pathways of all of the compounds are strongly affected by their assumed modes of entry into the environment. It is observed that for thirteen of the thirty organic wastewater contaminants most commonly detected in surface waters, conventional treatment strategies may be ineffective for their removal from wastewater effluents. The surface water fate factors predicted by the fugacity models were used in conjunction with the surface water concentrations measured in the USGS reconnaissance to obtain emission flux estimates for the compounds into U.S. streams and rivers. These include estimated fluxes of 6.8 × 10−5 to 0.30 kg/h km2 for the biomarker coprostanol; 1.7 × 10−5 to 6.5 × 10−5 kg/h km2 for the insect repellent N,N-diethyltoluamide; and 4.3 × 10−6 to 3.1 × 10−5 kg/h km2 for the steroid estriol.
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Keywords fugacity; pharmaceuticals; wastewater; multimedia model

Citation: Hoa T. Trinh, Peter Adriaens, Christian M. Lastoskie. Fate factors and emission flux estimates for emerging contaminants in surface waters. AIMS Environmental Science, 2016, 3(1): 21-44. doi: 10.3934/environsci.2016.1.21


  • 1. Daughton CG, Ternes TA (1999) Pharmaceuticals and personal care products in the environment: agents of subtle change? Environ Health Perspect Supp 107: 907-938.    
  • 2. Sedlak DL, Gray JL, Pinkston KE (2000) Understanding microcontaminants in recycled water. Environ Sci Technol 34: 508A-515A.    
  • 3. Asano T, Levine AD (2004) Recovering sustainable waste from wastewater. Environ Sci Technol 38: 201A-208A.    
  • 4. Halling-Sorensen B, Nielsen N, Lansky PF, et al. (1998) Occurrence, fate and effects of pharmaceutical substances in the environment- A review. Chemosphere 36: 357-393.    
  • 5. Heberer T (2002) Occurrence, fate, and removal of pharmaceutical residues in the aquatic environment: a review of recent research data. Toxicol Lett 131: 5-17.    
  • 6. Kolpin DW, Furlong ET, Meyer MT, et al. (2002) Pharmaceuticals, hormones, and other organic wastewater contaminants in U.S. streams, 1999-2000: A national reconnaissance. Environ Sci Technol 36: 1202-1211.    
  • 7. Panter GH, Thompson RS, Sumpter JP (2000) Intermittent exposure of fish to estradiol. Environ Sci Technol 34: 2756-2760.    
  • 8. Purdom CE, Hardiman PA, Bye VJ, et al. (1994) Estrogenic effects of effluents from sewage treatment works. Chem Ecol 8: 275-285.    
  • 9. Davis DL, Bradlow HL (1995) Can environmental estrogens cause breast cancer? Sci Am 273: 144-149.    
  • 10. D'Costa VM, McGrann KM, Hughes DW, et al. (2006) Sampling the antibiotic resistome. Science 311: 374-377.    
  • 11. Ternes TA, Joss A, Siegrist H (2004) Scrutinizing pharmaceuticals and personal care products in wastewater treatment. Environ Sci Technol 38: 392A-399A.    
  • 12. Ternes TA, Herrmann N, Bonerz M, et al. (2004) A rapid method to measure the solid–water distribution coefficient Kd. for pharmaceuticals and musk fragrances in sewage sludge. Water Res 38: 4075-4084.    
  • 13. Rogers HR (1996) Sources, behaviour and fate of organic contaminants during sewage treatment and in sewage sludges. Sci Total Environ 185: 3-26.    
  • 14. Golet EM, Xifra I, Siegrist H, et al. (2003) Environmental exposure assessment of fluoroquinolone antibacterial agents from sewage to soil. Environ Sci Technol 37: 3243-3249.    
  • 15. Buser HR, Poiger T, Mueller MD (1998) Occurrence and fate of the pharmaceutical drug diclofenac in surface waters: rapid photodegradation in a lake. Environ Sci Technol 32: 3449-3456.    
  • 16. Ternes TA (1998) Occurrence of drugs in German sewage treatment plants and rivers. Water Res 32: 3245-3260.    
  • 17. Huber MM, Korhonen S, Ternes TA, et al. (2005) Oxidation of pharmaceuticals during water treatment with chlorine dioxide. Water Res 39: 3607-3617.    
  • 18.  Joss A, Keller E, Alder AC, et al. Removal of pharmaceuticals and fragrances in biological wastewater treatment. Water Res 39: 3139-3152.    
  • 19. Mackay D (2001) Multimedia environmental models — the fugacity approach. 2nd ed.: Lewis Publishers, Chelsea, MI.
  • 20. Cowan CE, Mackay D, Feijtel TCJ, et al. (1995) The multi-media fate model: a vital tool for predicting the fate of chemicals.: SETAC Press, Penascola, FL.
  • 21. De Haes HAU, Jolliet O, Norris G, et al. (2002) Background, aims and scope. Int J LCA 4: 192-195.
  • 22. De Haes HAU, Heijungs R, Suh S, et al. (2004) Three strategies to overcome the limitations of Life-Cycle Assessment. J Ind Ecol 8: 19-32.
  • 23. Bare JC, Norris GA, Pennington DW, et al. (2002) TRACI: The tool for the reduction and assessment of chemical and other environmental impacts. J Ind Ecol 6: 49-78.    
  • 24. Mackay D, Paterson S (1991) Evaluating the multimedia fate of organic chemicals: a level III fugacity model. Environ Sci Technol 25: 427-432.    
  • 25. Mackay D, Di Guardo A, Paterson S, et al. (1996) Evaluating the environmental fate of a variety of types of chemicals using the EQC model. Environ Toxicol Chem 15: 1627-1637.    
  • 26. Di Guardo A, Calamari D, Benfenati E, et al. (2001) In Pharmaceuticals in the environment: sources, fate, effects and risks. Kummerer, K., Ed.: Springer-Verlag, Berlin, 91-102.
  • 27. Khan SJ, Ongerth JE (2004) Modelling of pharmaceutical residues in Australian sewage by quantities of use and fugacity calculations. Chemosphere 54: 355-367.    
  • 28. Zukowska B, Breivik K, Wania F (2006) Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships. Sci Tot Environ 359: 177-187.    
  • 29. MacLeod M, Fraser AJ, Mackay D (2002) Evaluating and expressing the propagation of uncertainty in chemical fate and bioaccumulation models. Environ Toxicol Chem 21: 700-709.    
  • 30. Hertwich EG, McKone TE, Pease WS (1999) Parameter uncertainty and variability in evaluative fate and exposure models. Risk Anal 19: 1193-1204.
  • 31. Hollander A, Pistocchi A, Huijbregts MA, et al. (2009) Substance or space? The relative importance of substance properties and environmental characteristics in modeling the fate of chemicals in Europe. Environ Toxicol Chem 28: 44-51.
  • 32. EPA Office of Pollution Prevention Toxics and Syracuse Research Corporation, Predictive Models and Tools for Assessing Chemicals under the Toxic Substances Control Act (TSCA). 2015. Available from: http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm.
  • 33. Lyman WJ, Rosenblatt DH (1982) Handbook of chemical property estimation methods: Environmental behavior of organic compounds: McGraw-Hill.
  • 34. Schwarzenbach RP, Gschwend PM, Imboden DM (2003) Environmental organic chemistry, 2nd ed.: Wiley-Interscience.
  • 35. Hansch C, Leo A, Hoekman D (1995) Exploring QSAR - Hydrophobic, electronic, and steric constants: American Chemical Society, Washington, DC.
  • 36. Lintelman J, Katayama A, Kurihara N, et al. (2003) Endocrine disruptors in the environment IUPAC Technical Report. Pure Appl Chem 75: 631-691.
  • 37. Platts JA, Abraham MH, Butina D, et al. (2000) Estimation of molecular linear free energy relationship descriptors by a group contribution approach. 2. Prediction of partition coefficients. J Chem Inf Comput Sci 40: 71-80.    
  • 38. Zhao YH, Abraham MH, Le J, et al. (2002) Rate-limited steps of human oral absorption and QSAR studies. Pharm Res 19: 1446-1457.    
  • 39. Goss KU, Schwarzenbach RP (2001) Linear free energy relationships used to evaluate equilibrium partitioning of organic compounds. Environ Sci Technol 35: 1-9.    
  • 40. Westerhoff P, Yoon Y, Snyder S, et al. (2005) Fate of endocrine-disruptor, pharmaceutical, and personal care product chemicals during simulated drinking water treatment processes. Environ Sci Technol 39: 6649-6663.    
  • 41. Loffler D, Rombke J, Meller M, et al. Environmental fate of pharmaceuticals in water/sediment systems. Environ Sci Technol 39: 5209-5218.    
  • 42. United States Census Bureau, State Area Measurements and Internal Point Coordinates. 2015. Available from: http://www.census.gov/geo/reference/state-area.html.
  • 43. MacLeod M, Mackay D (1999) An assessment of the environmental fate and exposure of benzene and the chlorobenzenes in Canada. Chemosphere 38: 1777-1796.    
  • 44. USGS Toxic Substances Hydrology Program, Emerging Contaminants In the Environment. Available from: http://toxics.usgs.gov/regional/emc.html.
  • 45. Arnot JA, Mackay D, Webster E, et al. (2006) Screening level risk assessment model for chemical fate and effects in the environment. Environ Sci Technol 40: 2316-2323.    
  • 46. Gouin T, Mackay D, Webster E, et al. (2000) Screening chemicals for persistence in the environment. Environ Sci Technol 34: 881-884.    
  • 47. Mikes O, Trapp S (2010) Acute toxicity of the dissociating veterinary antibiotics trimethoprim to willow trees at varying pH. Bull Environ Contam Toxicol 85: 556-561.    
  • 48. LeBlanc LA, Latimer JS, Ellis JT, et al. (1992) The geochemistry of coprostanol in waters and surface sediments from Narragansett Bay. Est Coast Shelf Sci 34: 439-458.    
  • 49. Zhang QQ, Ying GG, Chen ZF, et al. (2015) Basin-scale emission and multimedia fate of triclosan in whole China. Environ Sci Pollut Res 22: 10130-10143.    
  • 50. Zhang QQ, Ying GG, Pan CG, et al. (2015) Comprehensive evaluation of antibiotics emission and fate in the river basins of China: source analysis, multimedia modeling, and linkage to bacterial resistance. Environ Sci Technol 49: 6772-6782.    
  • 51. Zhang QQ, Zhao JL, Ying GG, et al. (2014) Emission estimation and multimedia fate modeling of seven steroids at the river basin scale in China. Environ Sci Technol 48: 7982-7992.    
  • 52. Trapp S, Franco A, Mackay D (2010) Activity-based concept for transport and partitioning of ionizing organics. Environ Sci Technol 44: 6123-6129.    


Copyright Info: © 2016, Christian M. Lastoskie, licensee AIMS Press. This is an open access article distributed under the terms of the Creative Commons Attribution Licese (http://creativecommons.org/licenses/by/4.0)

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