Models for gas/particle partitioning, transformation and air/water surface exchange of PCBs and PCDD/Fs in CMAQ

Atmospheric Environment

Volumn 41, Issue 39, 2007, Pages 9111-9127

  Meng, Fan ^a   Zhang, Baoning ^a   Gbor, Philip ^a   Wen, Deyong ^a   Yang, Fuquan ^a   Shi, Chune ^a   Aronson, Jonatan ^a   Sloan, James ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

CMAQ; Deposition; PCB; PCDD F; Regional modeling

Indexed keywords

ABSORPTION MODEL; ADSORPTION MODEL; AIR CONCENTRATIONS; ANTHROPOGENIC EMISSIONS; ATMOSPHERIC ADVECTION; CHEMICAL TRANSFORMATIONS; CMAQ; COMMUNITY MULTI-SCALE AIR QUALITIES; GAS PHASE CHEMISTRY; GAS/PARTICLE PARTITIONING; LONG RANGE TRANSPORT; MODEL PREDICTION; MODEL TESTING; MODELING RESULTS; MODELING SYSTEMS; PCB; PCDD/F; PCDD/FS; POLYCHLORINATED DIBENZO- P - DIOXINS; REGIONAL MODELING; SURFACE EXCHANGES; VOLATILE ORGANICS;

ADSORPTION; AIR QUALITY; GAS ABSORPTION; ORGANIC POLLUTANTS; PRINTED CIRCUITS;

POLYCHLORINATED BIPHENYLS;

POLYCHLORINATED BIPHENYL; POLYCHLORINATED DIBENZODIOXIN; POLYCHLORINATED DIBENZOFURAN;

ADSORPTION; ADVECTION; AIR QUALITY; ATMOSPHERIC CHEMISTRY; ATMOSPHERIC MODELING; ATMOSPHERIC POLLUTION; ATMOSPHERIC TRANSPORT; DEPOSITION; DIOXIN; LONG RANGE TRANSPORT; PARTICULATE MATTER; PARTITIONING; PCB; PCDD; WATER EXCHANGE;

ADSORPTION; AIR POLLUTION; AIR QUALITY; ARTICLE; CHEMICAL REACTION; GAS; MATHEMATICAL MODEL; MEASUREMENT; NORTH AMERICA; PRIORITY JOURNAL; VOLATILIZATION;

NORTH AMERICA;

EID: 45449092473     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2007.08.009     Document Type: Article

References (54)

1. Achman D.R., Hornbuckle K.C., and Eisenreich S.J. Volatilization of polychlorinated-biphenyls from green bay, lake-Michigan. Environmental Science and Technology 27 (1993) 75-87
2. Anderson P.N., and Hites R.A. OH radical reaction: the major removal pathway for polychlorinated biphenyls from the atmosphere. Environmental Science and Technology 30 (1996) 1756-1763
3. Atkinson R. Atmospheric chemistry of PCBs, PCDDs and PCDFs. In: Chlorinated Organic Micropollutants. In: Issues in Environmental Sciences and Technology, vol. 6 (1996), The Royal Society of Chemistry
4. Baker J.I., and Hites R.A. Siskiwit lake revisited: time trends of polychlorinated dibenzo-p-dioxin and dibenzofuran deposition at Isle Royale, Michigan. Environmental Science and Technology 34 (2000) 2887-2891
5. Binkowski F.S., and Roselle S.J. Model-3 community multiscale air quality(CMAQ) model aerosol component 1. Model description. Journal of Geophysical Research 108 (2003) 4183 10.1029/2001JD001409
6. Breivik K. Towards a global historical emission inventory for selected PCB congeners-a mass balance approach 1. Global production and consumption. The Science of the Total Environment (2002) 181-198
7. Breivik K., et al. Towards a global historical emission inventory for selected PCB congeners-a mass balance approach 2. Emission. The Science of the Total Environment 290 (2002) 199-224
8. Bruhn R., Lakaschus S., and Mclachlan M. Air/sea gas exchange of PCBs in the southern Baltic sea. Atmospheric Environment 37 (2003) 3445-3454
9. Byun, D., Ching, J., 1999. Science algorithms of the EPA Models-3 Community Multiscale Air Quality (CMAQ) Modeling System EPA/600/R-99/030. See also 〈http://www.epa.gov/asmdnerl/models3/doc/science/science.html〉.
10. Cohen M., et al. Modeling the atmospheric transport and deposition of PCDD/F to the great lakes. Environmental Science and Technology 36 (2002) 4831-4845
11. Dachs J., and Eisenreich S.J. Adsorption onto aerosol soot carbon dominates gas-particle partitioning of polycyclic aromatic hydrocarbons. Environmental Science and Technology 34 (2000) 3690-3697
12. Donnelly J.R., et al. Correlation of structure with retention index for chlorinated dibenzo-p-dioxins. Journal of Chromatography 392 (1987) 51-63
13. Falconer R.L. Vapor pressures and predicted particle/gas distributions of polyrinated biphenyl congeners as functions of temperature and ortho-chlorine substitution. Atmospheric Environment 28 (1994) 547-554
14. Falconer R.L., and Harner T. Comparison of the octanol-air partition coefficient and liquid phase vapor pressure as descriptors for particle/gas partitioning using laboratory and field data for PCBs and PCNs. Atmospheric Environment 34 (2000) 4043-4046
15. Fiedler H., et al. PCDD/PCDF in the atmosphere of southern Mississippi, USA. Organohalogen Compounds 33 (1997) 122-127
16. Finizio A., et al. Octanol-air partition coefficient as a predictor of partitioning of semi-volatile organic. Atmospheric Environment 31 (1997) 2289-2296
17. Gery M.W., et al. A photochemical kinetics mechanism for urban and regional scale computer modeling. Journal of Geophysical Research (1989) 12,925-12,956
18. Gotz C.W., et al. Alternative approaches for modeling gas-particle partitioning of semivolatile organic chemicals: model development and comparison. Environmental Science and Technology (2007) 10.1021/es060583y
19. Grell, G.A., Dudhia, J.S.D.R., 1994. A description of the fifth-generation Penn State/NCAR mesoscale model (MM5). NCAR Technical Note, NCAR/TN-398+STR.
20. Gusev, A., Mantseva, V., Shatalov, V., Strukov, B., 2005. Regional Multicompartment Model MSCE-POP, MSC-E Technical Report. 〈http://www.msceast.org/events/review/pop1.pdf〉.
21. Hafner W.D., and Hites R.A. Potential sources of pesticides, PCBs, and PAHs to the atmosphere of t he great lakes. Environmental Sciences and Technology 37 (2003) 3764-3773
22. Hale M.D., et al. Mathematical modeling of temperature programmed capillary gas chromatographic retention indexes for polychlorinated dibenzofurans. Analytical Chemistry 57 (1985) 640-648
23. Hanna A., and Benjey W. Special issue on model evaluation: evaluation of urban and regional Eulerian air quality models-preface 2. Atmospheric Environment 40 (2006) 4809-4810
24. Harju M.T., Haglund P., and Naikwadi K.P. Gas-chromatographic properties of the 209 PCB congeners on non-polar, chiral, and liquid-crystal columns. Organnohalogen Compounds 35 (1998) 111-114
25. Harner T., and Mackay D. Model of the long-term exchange of PCBs between soil and the atmosphere in the southern UK. Environmental Science and Technology 29 (1995) 1200-1209
26. Harner T., and Bidleman T.F. Measurements of octanol-air partition coefficients for polychlorinated biphenyls. Journal of Chemical and Engineering Data 41 (1996) 895-899
27. Harner T., and Bidleman T.F. Octanol-air partition coefficient for describing particle/gas partitioning of aromatic compounds in urban air. Environmental Science and Technology 32 (1998) 1494-1502
28. Harner T., et al. Polychlorinated napthalenes and coplanar polychlorinated biphenyls in Arctic air. Environmental Science and Technology (1998) 3257-3265
29. Harner T., Green N.J.L., and Jones K.C. Measurements of octanol-air partition coefficients for PCDD/Fs: a tool in assessing air-soil equilibrium status. Environmental Science and Technology 34 (2000) 3109-3114
30. Hornbuckle K.C., et al. Seasonal variations in air-water exchange of polychlorinated biphenyls in Lake Superior. Environmental Science and Technology 28 (1994) 1491-1501
31. IADN, 1998. Atmospheric deposition of toxic substances to the Great Lakes: IADN results through 1998. 〈http://www.msc-smc.ec.gc.ca/iadn/resources/loadings9798/final_9798_loadings_report_e.html〉.
32. IADN, 2000. Atmospheric deposition of toxic substances to the Great Lakes: IADN results through 2000. US EPA Report No. 905-R-04-900. 〈http://www.msc-smc.ec.gc.ca/iadn/resources/loadings_2000/loadings_2000_e.html#appc〉.
33. Junge C.E. Basic considerations about trace constituents in the atmosphere as related to the fate of global pollutants. In: Suffet I.H. (Ed). Fate of Pollutants in the Air and Water Environments (1977), Wiley, New York
34. Kalberer M., Paulsen D., et al. Identification of polymers as major components of atmospheric organic aerosols. Science (2004) 1659-1662
35. Liss P.S., and Slater P.G. Flux of gases across air-sea interface 3. Nature 247 (1974) 181-184
36. Lohmann R., and Lammel G. Adsorptive and absorptive contributions to the gas-particle partitioning of polycyclic aromatic hydrocarbons: state of knowledge and recommended parametrization for modeling. Environmental Science and Technology 38 (2004) 3793-3803
37. Mackay D., and Yeun A.T.K. Mass-transfer coefficient correlations for volatilization of organic solutes from water 18. Environmental Science and Technology 17 (1983) 211-217
38. Mebust M.R., et al. Models-3 community multiscale air quality (CMAQ) model aerosol component-2. Model evaluation 1. Journal of Geophysical Research-Atmospheres 108 (2003) 123
39. Meylan W.M., and Howard P.H. Computer estimation of the atmospheric gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone. Chemosphere 26 (1993) 2293
40. Meylan W.M., and Howard P.H. AOPWIN: Atmospheric Oxidation Program, v1.82 for Microsoft Windows 3.1 (1996), Syracuse Research Corporation, Syracuse, NY
41. Oehme M. Further evidence for long-range air transports of polychlorinated aromates and pesticides: North America and Eurasia to the Arctic. Ambio 20 7 (1991) 293-297
42. Oehme M., and Mano S. The long-range transport of organic pollutants to the Arctic. Fresenius Zeitschrift Fur Analytische Chemie (1984) 141-146
43. Paasivirta J., et al. Estimation of vapor pressures, solubilities and Henry's law constants of selected persistent organic pollutants as functions of temperature. Chemosphere 39 (1999) 811-832
44. Pankow J.F. Review and comparative analysis of the theories on partitioning between the gas and aerosol particulate phases in the atmosphere. Atmospheric Environment 21 (1987) 2275-2283
45. Pankow J.F. Common y-intercept and single compound regressions of gas-particle partitioning data. Atmospheric Environment 25A (1991) 2229-2239
46. Pankow J.F. Interdependence of the slopes and intercepts from log-log correlations of measured gas-particle partitioning and vapor pressure-I. Theory and analysis of available data. Atmospheric Environment 26A (1992) 1071-1080
47. Pankow J.F. An absorption model of gas/particle partitioning of organic compounds in the atmosphere. Atmospheric Environment (1994) 185-188
48. Pankow J.F. An absorption model of the gas/aerosol partitioning involved in the formation of secondary organic aerosol. Atmospheric Environment 21 (1994) 189-193
49. Roth C.M., Goss K., and Schwarzenbach R.P. Sorption of a diverse set of organic vapors to urban aerosols. Environmental Science and Technology 39 (2005) 6638-6643
50. Tasdemir Y., et al. Concentrations and gas/particle partitioning of PCBs in Chicago. Environmental Pollution 131 (2004) 35-44
51. Wania F., and Mackay D. The evolution of mass balance models for persistent organic pollutant fate in the environment. Environmental Pollution 100 (1999) 223-240
52. Wanninkhof, R., Ledwell, J., Crusius, J., 1991. Gas transfer velocities on lakes measured with sulfur hexafluoride. In: Wilhelms, S.C., Gulliver, J.S. (Eds.), Air Water Mass Transfer.
53. Yamasaki H., et al. Effects of ambient temperature on aspects of airborne polycyclic aromatic hydrocarbons. Environmental Science and Technology 16 (1982) 189-194
54. Zhang Y., et al. Development and application of the model of aerosol dynamics, reaction, ionization, and dissolution (MADRID). Journal of Geophysical Research-Atmospheres 109 (2004) 13 D01202-1-D01202/31