A dynamic model of the fate of organic chemicals in a multilayered air/soil system: Development and illustrative application

Environmental Science and Technology

Volumn 44, Issue 23, 2010, Pages 9010-9017

  Ghirardello, Davide ^a   Morselli, Melissa ^a   Semplice, Matteo ^a   Di Guardo, Antonio ^a  

^a UNIVERSITY OF INSUBRIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AIR COMPARTMENT; CLEAN AIR; CLIMATIC CONDITIONS; DISSOLVED ORGANIC CARBON; HEAVY RAINFALL; HEXACHLOROBENZENE; KEY FEATURE; MASS BALANCE; MINERAL SOILS; MODEL CONTAMINANT; MULTI-LAYERED; ORGANIC MATTER; PREDICTIVE CAPABILITIES; SITE-SPECIFIC; SOIL ENVIRONMENT;

COMPUTER SIMULATION; DYNAMIC MODELS; FUNGICIDES; GEOLOGIC MODELS; INDUSTRIAL CHEMICALS; LEACHING; ORGANIC CARBON; RAIN; SOIL POLLUTION; SOILS;

ORGANIC CHEMICALS;

DISSOLVED ORGANIC MATTER; HEXACHLOROBENZENE; MINERAL; ORGANIC CARBON; RAIN;

ATMOSPHERIC POLLUTION; BENCHMARKING; DISSOLVED ORGANIC CARBON; HEXACHLOROBENZENE; LEACHING; MASS BALANCE; POLLUTANT TRANSPORT; SOIL ECOSYSTEM; SOIL ORGANIC MATTER; SOIL POLLUTION;

AIR POLLUTANT; AIR POLLUTION; AIR QUALITY; ARTICLE; LEACHING; MODEL; ORGANIC POLLUTION; PROCESS DEVELOPMENT; SIMULATION; SOIL POLLUTANT; SOIL POLLUTION; SOIL PROPERTY; SOIL QUALITY;

AIR; CARBON; HEXACHLOROBENZENE; MODELS, CHEMICAL; ORGANIC CHEMICALS; SOIL; SOIL POLLUTANTS;

EID: 78650262019     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es1023866     Document Type: Article

References (50)

1. Nizzetto, L.; MacLeod, M.; Borgå, K.; Cabrerizo, A.; Dachs, J.; Di Guardo, A.; Ghirardello, D.; Hansen, K. M.; Jarvis, A.; Lindroth, A.; Ludwig, B.; Monteith, D.; Perlinger, J. A.; Scheringer, M.; Schwendenmann, L.; Semple, K. T.; Wick, L. Y.; Zhang, G.; Jones, K. C. Past, present, and future controls on levels of persistent organic pollutants in the global environment Environ. Sci. Technol. 2010, 44 (17) 6526-6531
2. McLachlan, M. S.; Horstmann, M. Forests as filters of airborne organic pollutants: A model Environ. Sci. Technol. 1998, 32, 413-420
3. Nizzetto, L.; Jarvis, A.; Brivio, P. A.; Jones, K. C.; Di Guardo, A. Seasonality of air-forest canopy POP exchange Environ. Sci. Technol. 2008, 42, 8778-8783
4. Moeckel, C.; Nizzetto, L.; Di Guardo, A.; Steinnes, E.; Freppaz, M.; Filippa, G.; Camporini, P.; Benner, J.; Jones, K. C. Persistent organic pollutants in boreal and montane soil profiles: Distribution, evidence of processes, and implications for global cycling Environ. Sci. Technol. 2008, 42, 8374-8380
5. Moeckel, C.; Nizzetto, L.; Berg, B.; Lindroth, A.; Jones, K. C. Air-boreal forest transfer and processing of polychlorinated biphenyls Environ. Sci. Technol. 2009, 43, 5282-5289
6. Flores-Céspedes, F.; González-Pradas, E.; Fernández-Pérez, M.; Villafranca-Sánchez, M.; Socías-Viciana, M.; Ureña-Amate, M. D. Effects of dissolved organic carbon on sorption and mobility of imidacloprid in soil J. Environ. Qual. 2002, 31, 880-888
7. Totsche, K. U.; Danzer, J.; Kögel-Knabner, I. Dissolved organic matter-enhanced retention of polycyclic aromatic hydrocarbons in soil miscible displacement experiments J. Environ. Qual. 1997, 26, 1090-1100
8. Hollander, A.; Huijbregts, M. A. J.; Ragas, A. M. J.; van de Meent, D. BasinBox: A generic multimedia fate model for predicting the fate of chemicals in river catchments Hydrobiologia 2006, 565, 18-32
9. Woodfine, D.; MacLeod, M.; Mackay, D. A regionally segmented national scale multimedia fate model for Canada with GIS data input and display Environ. Pollut. 2002, 119, 341-355
10. Armitage, J. M.; Cousins, I. T.; Hauck, M.; Harbers, J. V.; Huijbregts, M. A. J. Empirical evaluation of spatial and non-spatial European-scale multimedia fate models: Results and implications for chemical risk assessment J. Environ. Monit. 2007, 9, 572-581
11. Harner, T.; Mackay, D.; Jones, K. C. Model of the Long-Term Exchange of PCBs between Soil and the Atmosphere in the Southern U.K Environ. Sci. Technol. 1995, 29, 1200-1209
12. Cousins, I. T.; Mackay, D.; Jones, K. C. Measuring and modelling the vertical distribution of semi-volatile organic compounds in soils. II: Model development Chemosphere 1999, 14, 2519-2534
13. Harner, T.; Bidleman, T. F.; Jantunen, L. M. M.; Mackay, D. Soil-Air exchange model of persistent pesticides in the United States cotton belt Environ. Toxicol. Chem. 2001, 20, 1612-1621
14. Komprda, J.; Kubošová, K.; Dvorská, A.; Scheringer, M.; Klánová, J.; Holoubek, I. Application of an unsteady state environmental distribution model to a decadal time series of PAH concentrations in Central Europe J. Environ. Monit. 2009, 11, 269-276
15. Scholtz, M. T.; Bidleman, T. F. Modelling of the long term fate of pesticides residues in agricultural soils and their surface exchange with the atmosphere: Part I. Model description and evaluation Sci. Total Environ. 2006, 368, 823-838
16. Gasic, B.; Moeckel, C.; MacLeod, M.; Brunner, J.; Scheringer, M.; Jones, K. C.; Hungerbühler, K. Measuring and modeling short-term variability of PCBs in air and characterization of urban source strength in Zurich, Switzerland Environ. Sci. Technol. 2009, 43, 769-776
17. Morselli, M.; Ghirardello, D.; Semplice, M.; Di Guardo, A. Modeling short-term variability of semivolatile organic chemicals in air at a local scale: an integrated modeling approach. Submitted to Environ. Pollut
18. Barber, J. L.; Sweetman, A. J.; van Wijk, D.; Jones, K. C. Hexachlorobenzene in the global environment: Emissions, levels, distribution, trends and processes Sci. Total Environ. 2005, 349, 1-44
19. Di Guardo, A.; Calamari, D.; Zanin, G.; Consalter, A.; Mackay, D. A fugacity model of pesticide runoff to surface water: Development and validation Chemosphere 1994, 28, 511-531
20. Mackay, D. Multimedia Environmental Models: The Fugacity Approach, 2nd Ed.; Lewis Publishers: Boca Raton, FL, USA, 2001.
21. Environmental Modelling Group Web site: http://www.dsca.uninsubria.it/ adiguardo/downloads.html.
22. Kalbitz, K.; Solinger, S.; Park, J. H.; Michalzik, B.; Matzner, E. Controls on the dynamics of dissolved organic matter in soils: A review Soil Sci. 2000, 165, 277-304
23. Hughes, L.; Webster, E.; Mackay, D. An evaluative screening level model of the fate of organic chemicals in sludge-amended soils including organic matter degradation Soil Sediment Contam. 2008, 17, 564-585
24. Suarez, L. A. PRZM-3. A model for predicting pesticide and nitrogen fate in the crop root and unsaturated soil zones: Users Manual for Release 3.12.2; National Exposure Research Laboratory, U.S. Environmental Protection Agency: Athens, GA, 2006.
25. Neitsch, S. L.; Arnold, J. G.; Kiniry, J. R.; Williams, J. R. Soil Water Assessment Tool Theoretical Documentation; 2005. http://www.brc.tamus.edu/swat/ index.html.
26. Rawls, W. J.; Ahuja, L. R.; Brakensiek, D. L.; Shirmohammadi, A. Infiltration and soil water movement. In Handbook of Hydrology; Maidment, D. R., Ed.; McGraw-Hill Inc.: New York, 1992; pp 5.1 - 5.51.
27. Ahuja, L. R.; Ma, Q. L.; Rojas, K. W.; Boesten, J. J. T. I.; Farahani, H. J. A field test of root zone water quality model-pesticide and bromide behavior Pestic. Sci. 1996, 48, 101-108
28. Linacre, E. T. A simple formula for estimating evaporation rates in various climates, using temperature data alone Agric. Meteorol. 1977, 18, 409-424
29. Jury, W. A.; Spencer, W. F.; Farmer, W. J. Behavior Assessment Model for Trace Organics in Soil: I. Model Description J. Environ. Qual. 1983, 12, 558-564
30. Beulke, S.; van Beinum, W.; Brown, C. D.; Mitchell, M.; Walker, A. Evaluation of simplifying assumptions on pesticide degradation in soil J.Environ. Qual. 2005, 34, 1933-1943
31. Durjava, M. K.; ter Laak, T. L.; Hermens, J. L. M.; Struijs, J. Distribution of PAHs and PCBs to dissolved organic matter: High distribution coefficients with consequences for environmental fate modeling Chemosphere 2007, 67, 990-997
32. Sprott, J. C. Numerical Recipes: Routines and Examples in Basic; Cambridge University Press: Cambridge, MA, 1991.
33. Oreskes, N.; Shrader-Frechette, K.; Belitz, K. Verification, validation and confirmation of numerical models in the earth sciences Science 1994, 263, 641-646
34. MatLab R2007b, The MathWorks Inc., 3 Apple Hill Drive, Natick, MA 01760-2098 USA.
35. Boesten, J. J. T. I.; van der Pas, L. J. T. Movement of water, bromide and the pesticides ethoprophos and bentazone in a sandy soil: The Vredepeel data set Agric. Water Manage. 2000, 44, 21-42
36. Vanclooster, M.; Boesten, J. J. T. I.; Trevisan, M.; Brown, C. D.; Capri, E.; Eklo, O. M.; Gottensbüren, B.; Gouy, V.; van der Linden, A. M. A. A European test of pesticide-leaching models: Methodology and major recommendations Agric. Water Manage. 2000, 44, 1-19
37. Mayer, D. G.; Butler, D. G. Statistical validation Ecol. Model. 1993, 68, 21-32
38. Trevisan, M.; Errera, G.; Goerlitz, G.; Remy, B.; Sweeney, P. Modelling ethoprophos and bentazone fate in a sandy humic soil with primary pesticide fate model PRZM-2 Agric. Water Manage. 2000, 44, 317-335
39. Dust, M.; Baran, N.; Errera, G.; Hutson, J. L.; Mouvet, C.; Schäfer, H.; Vereecken, H.; Walker, A. Simulation of water and solute transport in field soils with the LEACHP model Agric. Water Manage. 2000, 44, 225-245
40. Boesten, J. J. T. I.; Gottensbüren, B. Testing PESTLA using two modelers for bentazone and ethoprophos in a sandy soil Agric. Water Manage. 2000, 44, 283-305
41. Wallman, P.; Belyazid, S.; Svensson, M. G. E.; Sverdrup, H. DECOMP-a semi-mechanistic model of litter decomposition Environ Modell. Softw. 2006, 21, 33-44
42. Jacob, M.; Weland, N.; Platner, C.; Schaefer, M.; Leuschner, C.; Thomas, F. M. Nutrient release from decomposing leaf litter of temperate deciduous forest trees along a gradient of increasing tree species diversity Soil Biol. Biochem. 2009, 41, 2122-2130
43. Don, A.; Schulze, E. D. Controls on fluxes and export of dissolved organic carbon in grasslands with contrasting soil types Biogeochemistry 2008, 91, 117-131
44. Vrana, B.; Paschke, A.; Popp, P.; Schüürmann, G. Use of semi-permeable membranes: Determination of bioavailable, organic, waterborne contaminants in the industrial region of Bitterfeld, Saxony-Anhalt, Germany Environ. Sci. Pollut. Res. 2001, 8, 27-34
45. Meijer, S. N.; Ockenden, W. A.; Sweetman, A.; Breivik, K.; Grimalt, J. O.; Jones, K. C. Global distribution and budget of PCBs and HCB in background surface soils: Implications for sources and environmental processes Environ. Sci. Technol. 2003, 37, 667-672
46. Dalla Valle, M.; Jurado, E.; Dachs, J.; Sweetman, A. J.; Jones, K. C. The maximum reservoir capacity of soils for persistent organic pollutants: implications for global cycling Environ. Pollut. 2005, 134, 153-164
47. Gouin, T.; Thomas, G. O.; Cousins, I.; Barber, J.; Mackay, D.; Jones, K. C. Air-surface exchange of polybrominated diphenyl ethers and polychlorinated biphenyls Environ. Sci. Technol. 2002, 36, 1426-1434
48. Vasilyeva, G. K.; Strijakova, E. R.; Nikolaeva, S. N.; Lebedev, A. T.; Shea, P. J. Dynamics of PCB removal and detoxification in historically contaminated soils amended with activated carbon Environ. Pollut. 2010, 158, 770-777
49. Trapp, S.; Matthies, M. Modeling volatilization of PCDD/F from soil and uptake into vegetation Environ. Sci. Technol. 1997, 31, 71-74
50. Gish, T. J.; Sadeghi, A.; Wienhold, B. J. Volatilization of alachlor and atrazine as influenced by surface litter Chemosphere 1995, 31, 2971-2982