Uncertainty analysis using a fugacity-based multimedia mass-balance model: Application of the updated EQC model to decamethylcyclopentasiloxane (D5)

Chemosphere

Volumn 93, Issue 5, 2013, Pages 819-829

  Kim, Jaeshin ^a   Powell, David E ^a   Hughes, Lauren ^b   Mackay, Don ^b  

^a DOW CORNING CORPORATION   (United States)

^b TRENT UNIVERSITY   (Canada)

Author keywords

Decamethylcyclopentasiloxane; Multimedia mass balance model; Partition coefficient; Siloxanes; Uncertainty analysis

Indexed keywords

ADVECTION; DATA HANDLING; SILICON COMPOUNDS; TEMPERATURE DISTRIBUTION;

DECAMETHYLCYCLOPENTASILOXANE; INFLUENTIAL FACTORS; MASS BALANCE MODEL; MODELING ENVIRONMENTS; PARTITION COEFFICIENT; SENSITIVITY AND UNCERTAINTY ANALYSIS; SILOXANES; TEMPERATURE DEPENDENCE;

UNCERTAINTY ANALYSIS;

DECAMETHYLCYCLOPENTASILOXANE; POLYSILOXANE; UNCLASSIFIED DRUG;

ADVECTION; EMISSION; EQUILIBRIUM; MONTE CARLO ANALYSIS; MULTIMEDIA; PARTITION COEFFICIENT; POLYMER; UNCERTAINTY ANALYSIS;

ADVECTION; AIR POLLUTION; ARTICLE; DEGRADATION; EQUILIBRIUM CRITERION MODEL; HALF LIFE TIME; MODEL; MONTE CARLO METHOD; MULTIMEDIA; PARTITION COEFFICIENT; SOIL POLLUTION; TEMPERATURE DEPENDENCE; UNCERTAINTY; WATER POLLUTION;

DECAMETHYLCYCLOPENTASILOXANE; MULTIMEDIA MASS-BALANCE MODEL; PARTITION COEFFICIENT; SILOXANES; UNCERTAINTY ANALYSIS;

ENVIRONMENTAL MONITORING; ENVIRONMENTAL POLLUTANTS; HALF-LIFE; MODELS, CHEMICAL; MODELS, STATISTICAL; MONTE CARLO METHOD; SILOXANES; UNCERTAINTY;

EID: 84884411547     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2012.10.054     Document Type: Article

References (37)

1. Arnot J.A., Mackay D., Bonnell M. Estimating metabolic biotransformation rates in fish from laboratory data. Environ. Toxicol. Chem. 2008, 27(2):341-351.
2. 3 at 297±2K. Environ. Sci. Technol. 1991, 25(5):863-866.
3. Boehmer, T., Gerhards, R., 2003. Decamethylcyclopentasiloxane (D5): A compilation of environmental data. Centre Européen des Silicones (CES).
4. CEMC (The Canadian Centre for Environmental Modelling and Chemistry). Fugacity-Based EQC - EQuilibrium Criterion Model. Download 5/10/2010.
5. Cowan-Ellsberry, C.E., McLachlan, M.S., Arnot, J.A., MacLeod, M., McKone, T.E., Wania, F., 2010. Modeling exposure to persistent chemical in Hazard and Risk Assessment. Lawrence Berkeley National Laboratory.
6. Drottar, K.R., 2005. 14C-Decamethylcyclopentasiloxane (14C-D5): Bioconcentration in the fathead minnow (Pimephales promelas) under flow-through test conditions. Dow Corning Corporation. Health and Safety Council. Study Number 9882-102.
7. Durham, J.A., Kozerski, G.E., 2007. Soil-water distribution of decamethylcyclopentasiloxane (D5) using a batch equilibrium method. Dow Corning Corporation. Health and Safety Council. Study Number 10352-108.
8. Hughes L., Mackay D., Kim J., Powell D.E. An updated state of the science EQC model for evaluating chemical fate in the environment: application to D5 (decamethylcyclopentasiloxane). Chemosphere 2012, 87:118-124.
9. IUCLID, 2005. IUCLID Dataset for Decamethylcyclopentasiloxane. Epona Associates LLC.
10. Jiménez E., Ballesteros B., Martínez E., Albaladejo J. Tropospheric reaction of OH with selected linear ketones: Kinetic studies between 228 and 405 K. Environ. Sci. Technol. 2005, 39:814-820.
11. Karickhoff S.W. Semi-empirical estimation of sorption of hydrophobic pollutants on natural sediments and soils. Chemosphere 1981, 10:833-846.
12. Kozerski, G., 2007. Determination of the 1-Octanol/Water Partition Coefficient of Decamethylcyclopentasiloxane (D5) by the Slow-Stirring Method Using Gas Chromatography and Mass Spectrometry. Silicones Environmental, Health, and Safety Council (SEHSC).
13. Kozerski, G., 2008. SEHSC response to Dr. Bidleman's review on hydrolysis studies of D4 and D5. Dow Corning Corporation.
14. Lei Y.D., Wania F., Mathers D. Temperature-dependent vapor pressure of selected cyclic and linear polydimethylsiloxane oligomers. J. Chem. Eng. Data 2010, 55(12):5868-5873.
15. Mackay D. Correlation of bioconcentration factors. Environ. Sci. Technol. 1982, 16:274-278.
16. Mackay D. Multimedia Environmental Models: the Fugacity Approach 2001, CRC Press LLC.
17. Mackay D., Paterson S., Di Guardo A., Cowan C.E. Evaluating the environmental fate of a variety of types of chemicals using the EQC Model. Environ. Toxicol. Chem. 1996, 15(9):1627-1637.
18. Mackay, D., Arnot, J.A., Webster, E., Reid, L., 2009. The evolution and future of environmental fugacity models. In: J. Devillers (Ed.), Emerging Topics in Ecotoxicology: Principles, Approaches and Perspectives Ecotoxicology Modeling, vol. 2. Springer Science+Business Media, LLC 2009.
19. MacLeod M., Fraser A.J., Mackay D. Evaluating and expressing the propagation of uncertainty in chemical fate and bioaccumulation models. Environ. Toxicol. Chem. 2002, 21:700-709.
20. 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, 39:6749-6756.
21. MacLeod M., Scheinger M., McKone T.E., Hungerbuhler K. The state of multimedia mass-balance modeling in environmental science and decision-making. Environ. Sci. Technol. 2011, 44:8360-8364.
22. McLachlan M.S., Kierkegaard A., Hansen K.M., van Egmond R., Christensen J.H., Skjøth C.A. Concentrations and fate of decamethylcyclopentasiloxane (D5) in the atmosphere. Environ. Sci. Technol. 2010, 44(14):5365-5370.
23. Meyer T., Wania F., Breivik K. Illustrating sensitivity and uncertainty in environmental fate models using partitioning maps. Environ. Sci. Technol. 2005, 39(9):3186-3196.
24. Mount G.H., Eisele F.L. An intercomparison of tropospheric OH measuremts at Fritz Peak Observatory, Colorado. Science 1992, 256:1187.
25. Navea J.G., Xu S., Stainer C.O., Young M.A., Grassian V.H. Effect of ozone and relative humidity on the heterogeneous uptake of octamethylcyclotetrasiloxane and decamethylcyclopentasiloxane on model mineral dust aerosol components. J. Phys. Chem. A 2009, 113(25):7030-7038.
26. 5) and the influence of heterogeneous uptake. Atmos. Environ. 2011, 45(18):3181-3191.
27. Parker W.J., Shi J., Fendinger N.J., Monteith H.D., Chandra G. Pilot plant study to assess the fate of two volatile methyl siloxane compounds during municipal wastewater treatment. Environ. Toxicol. Chem. 1999, 18(2):172-181.
28. Passuelloa A., Maria M., Nadala M., Schuhmachera M., Domingo J.L. POP accumulation in the food chain: integrated risk model for sewage sludge application in agricultural soils. Environ. Int. 2010, 36(6):577-583.
29. PhysProp Database [online interactive database demo], 2011. Syracuse (NY): Syracuse Research Corporation. [cited 2011 January]
30. SEHSC (Silicones Environmental, Health and Safety Council), 2011. Recommended values of D5 physical and chemical properties - Annex 3. Submitted to the Siloxane D5 Board of Review. Ringtail Document No B-000007. (The Ringtail database and associated digital copyright arrangements were created solely for the Board of Review process and ended when the Board issued its report. Printed copies of these documents are held in Environment Canada's library. Please contact: Library Services, Place Vincent Massey, 351 boul. St-Joseph, Gatineau, Quebec (819) 997-1767 between 8:00-4:00 EST or librarybiblio.gatineau@ec.gc.ca for further information.).
31. Seth R., Mackay D., Munthe J. Estimation of organic carbon partition coefficient and its variability for hydrophobic chemicals. Environ. Sci. Technol. 1999, 33:2390-2394.
32. Varaprath S., Frye C.L., Hamelink J. Aqueous solubility of permethylsiloxanes (silicones), short communication. Environ. Toxicol. Chem. 1996, 15:1263-1265.
33. 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. Modell. Softw. 2009, 24:228-237.
34. Whelan M.J., Estrada E., Van Egmond R. A modelling assessment of the atmospheric fate of volatile methyl siloxanes and their reaction products. Chemosphere 2004, 57(10):1427-1437.
35. Xu, S., 2007. Estimation of Degradation Rates of cVMS in Soils. Silicones Environmental, Health and Safety Council (SEHSC).
36. Xu, S., Kropscott, B., 2007. Simultaneous determination of partition coefficients for octamethylcyclotetrasiloxane and decamethylcyclopentasiloxane. Dow Corning non-regulated technical report. DCC study # 10336-101.
37. Xu, S., 2010. Aerobic and anaerobic transformation of decamethylcyclopentasiloxane (14C-D5) in aquatic sediment systems. Centre Européen des Silicones (CES) Report.