Critical review of low-density polyethylene's partitioning and diffusion coefficients for trace organic contaminants and implications for its use as a passive sampler

Environmental Science and Technology

Volumn 46, Issue 2, 2012, Pages 606-618

  Lohmann, Rainer ^a,b  

^a UNIVERSITY OF RHODE ISLAND   (United States)

^b UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AIR-WATER; ANALYTES; AQUEOUS SOLUBILITY; CRITICAL REVIEW; DIFFUSION COEFFICIENTS; DIFFUSIVITIES; EQUILIBRIUM PARTITIONING; FILM-STACKING; FIRST-ORDER; FLUORANTHENE; GOOD CORRELATIONS; HYDROPHOBIC ORGANIC CONTAMINANT; PASSIVE SAMPLERS; RELATIVE STANDARD DEVIATIONS; REPRODUCIBILITIES; TRACE ORGANIC CONTAMINANTS;

ANTHRACENE; EQUILIBRIUM CONSTANTS; POLYETHYLENES; SOLUBILITY;

THERMOPLASTICS;

ANTHRACENE; FLUORANTHENE; PHENANTHRENE; POLYETHYLENE; PYRENE; TRACE ELEMENT; WATER;

AIR-WATER INTERACTION; AQUEOUS SOLUTION; DIFFUSION; ESTIMATION METHOD; ETHYLENE; FILM; HYDROCARBON; HYDROPHOBICITY; LITERATURE REVIEW; ORGANIC POLLUTANT; SALT; TEMPERATURE EFFECT;

AQUEOUS SOLUTION; ARTICLE; CONTROLLED STUDY; CORRELATION ANALYSIS; DIFFUSION COEFFICIENT; EQUILIBRIUM CONSTANT; HYDROPHOBICITY; LABORATORY; SAMPLER; SOLUBILITY;

ENVIRONMENTAL MONITORING; ENVIRONMENTAL POLLUTANTS; KINETICS; ORGANIC CHEMICALS; POLYETHYLENE;

EID: 84855938082     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es202702y     Document Type: Article

References (82)

1. Huckins, J. N.; Petty, J. D.; Booij, K. Monitors of organic chemicals in the environment-semipermeable membrane devices; Springer: New York, 2006; p 223.
2. Huckins, J. N.; Tubergen, M. W.; Manuweera, G. K. Semipermeable membrane devices containing model lipid: A new approach to monitoring the bioavailability of lipophilic contaminants and estimating their bioconcentration potential Chemosphere 1990, 20, 533-552
3. Huckins, J. N.; Manuweera, G. K.; Petty, J. D.; Mackay, D.; Lebo, J. A. Lipid-containing semipermeable membrane devices for monitoring organic contaminants in water Environ. Sci. Technol. 1993, 27, 2488-2496
4. Huckins, J. N.; Petty, J. D.; Lebo, J. A.; Almeida, F. V.; Booij, K.; Alvarez, D. A.; Clark, R. C.; Mogensen, B. B. Development of the permeability/performance reference compound approach for in situ calibration of semipermeable membrane devices Environ. Sci. Technol. 2002, 36 (1) 85-91
5. Huckins, J. N.; Petty, J. D.; Orazio, C. E.; Lebo, J. A.; Clark, R. C.; Gibson, V. L.; Gala, W. R.; Echols, K. R. Determination of uptake kinetics (sampling rates) by lipid-containing semipermeable membrane devices (SPMDs) for polycyclic aromatic hydrocarbons (PAHs) in water Environ. Sci. Technol. 1999, 33 (21) 3918-3923
6. Booij, K.; Sleiderink, H. M.; Smedes, F. Calibrating the uptake kinetics of semipermeable membrane devices using exposure standards Environ. Toxicol. Chem. 1998, 17 (7) 1236-1245
7. Prest, H. F.; Jarman, W. M.; Weismuller, T.; Martin, M.; Huckins, J. N. Passive water sampling via semipermeable membrane devices (SPMDs) in concert with bivalves in the Sacramento/San Joaquin river delta Chemosphere 1992, 25, 1811-1823
8. Petty, J. D.; Orazio, C. E.; Huckins, J. N.; Gale, R. W.; Lebo, J. A.; Meadows, J. C.; Echols, K. R.; Cranor, W. L. Considerations involved with the use of semipermeable membrane devices for monitoring environmental contaminants J. Chromatogr., A 2000, 879, 83-95
9. Muller, J. F.; Manomanii, K.; Mortimer, M. R.; McLachlan, M. S. Partitioning of polycyclic aromatic hydrocarbons in the polyethylene/water system Fresenius' J. Anal. Chem. 2001, 371 (6) 816-822
10. Adams, R. G.; Lohmann, R.; Fernandez, L. A.; Macfarlane, J. K.; Gschwend, P. M. Polyethylene devices: Passive samplers for measuring dissolved hydrophobic organic compounds in aquatic environments Environ. Sci. Technol. 2007, 41 (4) 1317-1323
11. Fernandez, L. A.; MacFarlane, J. K.; Tcaciuc, A. P.; Gschwend, P. M. Measurement of freely dissolved PAH concentrations in sediment beds using passive sampling with low-density polyethylene strips Environ. Sci. Technol. 2009, 43 (5) 1430-1436
12. Friedman, C.; Burgess, R. M.; Perron, M. M.; Cantwell, M. G.; Ho, K. T.; Lohmann, R. Comparing polychaete bioaccumulation and passive sampler uptake to assess the effects of sediment resuspension on PCB bioavailability Environ. Sci. Technol. 2009, 43, 2865-2870
13. Tomaszewski, J. E.; Luthy, R. G. Field deployment of polyethylene devices to measure PCB concentrations in pore water of contaminated sediment Environ. Sci. Technol. 2008, 42 (16) 6086-6091
14. Booij, K.; Hoedemaker, J. R.; Bakker, J. F. Dissolved PCBs, PAHs, and HCB in pore waters and overlying waters of contaminated harbor sediments Environ. Sci. Technol. 2003, 37 (18) 4213-4220
15. Morgan, E.; Lohmann, R. Detecting air-water and surface-deep water gradients of PCBs using polyethylene passive samplers Environ. Sci. Technol. 2008, 7248-7253
16. Sacks, V. P.; Lohmann, R. Development and use of polyethylene passive samplers to detect triclosans and alkylphenols in an urban estuary Environ. Sci. Technol. 2011, 45, 2270-2277
17. Bartkow, M. E.; Hawker, D. W.; Kennedy, K. E.; Muller, J. F. Characterizing uptake kinetics of PAHs from the air using polyethylene-based passive air samplers of multiple surface area-to-volume ratios Environ. Sci. Technol. 2004, 38 (9) 2701-2706
18. Bartkow, M. E.; Jones, K. C.; Kennedy, K. E.; Holling, N.; Hawker, D. W.; Muller, J. F. Evaluation of performance reference compounds in polyethylene-based passive air samplers Environ. Pollut. 2006, 144 (2) 365-370
19. Lohmann, R.; Burgess, R. M.; Cantwell, M. G.; Ryba, S. A.; MacFarlane, J. K.; Gschwend, P. M. Dependency of polychlorinated biphenyl and polycyclic aromatic hydrocarbon bioaccumulation in Mya arenaria on both water column and sediment bed chemical activities Environ. Toxicol. Chem. 2004, 23 (11) 2551-2562
20. Lohmann, R.; Dapsis, M.; Morgan, E. J.; Dekany, V.; Luey, P. J. Determining air-water exchange, spatial and temporal trends of PAHs in an urban estuary using passive polyethylene samplers Environ. Sci. Technol. 2011, 45, 2655-2662
21. Ehrenstein, G. W. Polymeric materials: Structure, properties, applications; Hanser Publishers: Munich, 2001; p 277.
22. Gaechter, R.; Mueller, H. Taschenbuch der Kunststoff-Additive, 3 rd ed.; Carl Hanser Verlag: Muenchen, Wien, 1989.
23. Giles, H. F. J.; Wagner, J. R. J.; Mount, E. M., III Extrusion-the definitive processing guide and handbook; William Andrew Publishing/Plastics Design Library: Norwich, NY, 2005.
24. Munaro, M.; Akcelrud, L. Correlations between composition and crystallinity of LDPE/HDPE blends J. Polym. Res. 2008, 15, 83-88
25. Vittoria, V. Influence of the crystallinity on the transport properties of polyethylene J. Mater. Sci. 1995, 38, 3954-3958
26. Lutzow, N.; Tihminlioglua, A.; Dannera, R. P.; Dudaa, J. L.; De Haanc, A.; Warnier, G.; Zielinski, J. M. Diffusion of toluene and n-heptane in polyethylenes of different crystallinity Polymer 1999, 40, 2797-2803
27. McCall, D. W.; Douglass, D. C.; Blyler, L. L.; Johnson, G. E.; Jelinski, L. W.; Bair, H. E. Solubility and diffusion of water in low-density polyethylene Macromolecules 1984, 17 (9) 1644-1649
28. Booij, K.; Hofmans, H. E.; Fischer, C. V.; Van Weerlee, E. M. Temperature-dependent uptake rates of nonpolar organic compounds by semipermeable membrane devices and low-density polyethylene membranes Environ. Sci. Technol. 2003, 37 (2) 361-366
29. Cornelissen, G.; Pettersen, A.; Broman, D.; Mayer, P.; Breedveld, G. D. Field testing of equilibrium passive samplers to determine freely dissolved native polycyclic aromatic hydrocarbon concentrations Environ. Toxicol. Chem. 2008, 27 (3) 499-508
30. Smedes, F.; Geertsma, R. W.; van der Zande, T.; Booij, K. Polymer-water partition coefficients of hydrophobic compounds for passive sampling: Application of cosolvent models for validation Environ. Sci. Technol. 2009, 43 (18) 7047-7054
31. Perron, M. M.; Burgess, R. M.; Ho, K. T.; Pelletier, M. C.; Friedman, C. L.; Cantwell, M. G.; Shine, J. P. Development and evaluation of polyethylene reverse samplers for marine phase II whole sediment toxicity identification evaluations Environ. Toxicol. Chem. 2009, 28, 749-758
32. Hale, S. E.; Martin, T. J.; Goss, K. U.; Arp, H. P. H; Werner, D. Partitioning of organochlorine pesticides from water to polyethylene passive samplers Environ. Pollut. 2010, 158 (7) 2511-2517
33. Hale, S. E.; Tomaszewski, J. E.; Luthy, R. G.; Werner, D. Sorption of dichlorodiphenyltrichloroethane (DDT) and its metabolites by activated carbon in clean water and sediment slurries Water Res. 2009, 43 (17) 4336-4346
34. Sacks, V. P. Validation of polyethylene passive samplers for the detection of emerging contaminants. M.Sc., University of Rhode Island, Narragansett, 2010.
35. Bao, L.-J.; You, J.; Zeng, E. Y. Sorption of PBDE in low-density polyethylene film: Implications for bioavailability of bde-209 Environ. Toxicol. Chem. 2011, 30 (8) 1731-1738
36. Difilippo, E. L.; Eganhouse, R. P. Assessment of PDMS-water partition coefficients: Implications for passive environmental sampling of hydrophobic organic compounds Environ. Sci. Technol. 2010, 44 (18) 6917-6925
37. Xie, W. H.; Shiu, W. Y.; Mackay, D. A review of the effect of salts on the solubility of organic compounds in seawater Mar. Environ. Res. 1997, 44, 429-444
38. Ma, Y. G.; Lei, Y. D.; Xiao, H.; Wania, F.; Wang, W. H. Critical review and recommended values for the physical-chemical property data of 15 polycyclic aromatic hydrocarbons at 25 °C J. Chem. Eng. Data 2010, 55, 819-825
39. Hawker, D. W.; Connell, D. W. Octanol water partition-coefficients of polychlorinated biphenyl congeners Environ. Sci. Technol. 1988, 22, 382-387
40. Schenker, U.; MacLeod, M.; Scheringer, M.; Hungerbuhler, 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
41. Aberg, A.; MacLeod, M.; Wiberg, K. Physical-chemical property data for dibenzo-p-dioxin (DD), dibenzofuran (DF), and chlorinated DD/Fs: A critical review and recommended values J. Phys. Chem. Ref. Data 2008, 37 (4) 1997-2008
42. EPA, U. S. Sparc v4.5. Http://sparc.Chem.Uga.Edu/sparc/.
43. Hilal, S. H.; Carreira, L. A.; Karickhoff, S. W. Prediction of the solubility, activity coefficient, gas/liquid and liquid/liquid distribution coefficients of organic compounds QSAR Comb. Sci. 2004, 23, 709-720
44. van Noort, P. C. M.; Haftka, J. J. H.; Parsons, J. R. Updated Abraham solvation parameters for polychlorinated biphenyls Environ. Sci. Technol. 2010, 44 (18) 7037-7042
45. Schwarzenbach, R. P.; Gschwend, P. M.; Imboden, D. M. Environmental Organic Chemistry, 2 nd ed.; Wily-Interscience: New Jersy, 2003.
46. Ma, K. C.; MacKay, D.; Lee, S. C.; Shiu, W. Y. Handbook of physical-chemical properties and environmental fate for organic chemicals, 2nd ed.; CRC Press: 2006.
47. Endo, S.; Escher, B. I.; Goss, K.-U. Capacities of membrane lipids to accumulate neutral organic chemicals Environ. Sci. Technol. 2011, 45 (14) 5912-5921
48. Razzaque, M. M.; Grathwohl, P. Predicting organic carbon-water partitioning of hydrophobic organic chemicals in soils and sediments based on water solubility Water Res. 2008, 42 (14) 3775-3780
49. Ockenden, W. A.; Prest, H. F.; Thomas, G. O.; Sweetman, A.; Jones, K. C. Passive air sampling of PCBs: Field calculation of atmospheric sampling rates by triolein-containing semipermeable membrane devices Environ. Sci. Technol. 1998, 32 (10) 1538-1543
50. Lohmann, R.; Corrigan, B. P.; Howsam, M.; Jones, K. C.; Ockenden, W. A. Further developments in the use of semipermeable membrane devices (SPMDs) as passive air samplers for persistent organic pollutants: Field application in a spatial survey of pcdd/fs and pahs Environ. Sci. Technol. 2001, 35 (12) 2576-2582
51. Bartkow, M. E.; Huckins, J. N.; Muller, J. F. Field-based evaluation of semipermeable membrane devices (SPMDs) as passive air samplers of polyaromatic hydrocarbons (PAHs) Atmos. Environ. 2004, 38 (35) 5983-5990
52. Booij, K.; van Drooge, B. L. Polychlorinated biphenyls and hexachlorobenzene in atmosphere, sea-surface microlayer, and water measured with semi-permeable membrane devices (SPMDs) Chemosphere 2001, 44 (2) 91-98
53. Kennedy, K. E.; Hawker, D. W.; Willer, J. F.; Bartkow, M. E.; Truss, R. W. A field comparison of ethylene vinyl acetate and low-density polyethylene thin films for equilibrium phase passive air sampling of polycyclic aromatic hydrocarbons Atmos. Environ. 2007, 41 (27) 5778-5787
54. Whelan, T. Polymer technology dictionary; Chapman & Hall: 1994; p 555.
55. Beyer, A.; Wania, F.; Gouin, T.; Mackay, D.; Matthies, M. Selecting internally consistent physicochemical properties of organic compounds Environ. Toxicol. Chem. 2002, 21 (5) 941-953
56. Setschenow, J. Z. Über die Konstitution der Salzlösungen auf Grund ihres Verhaltens zu Kohlensäure Z. Physik. Chem. 1889, 4, 117-125
57. Jonker, M. T. O.; Muijs, B. Using solid phase micro extraction to determine salting-out (setschenow) constants for hydrophobic organic chemicals Chemosphere 2010, 80 (3) 223-227
58. Parks, W.; Richards, R. B. The effect of pressure on the volume, thermodynamic properties and crtystallinity of polyethylene Trans. Faraday Soc. 1949, 45, 203-211
59. Isacescu, D. A.; Ionescu, I. V.; Leca, M.; Roncea, C.; Mihaita, D.; Rizescu, E. Studies in the field of polyethylene v. Correlations between compressibility, crystallinity and molecular weight of high pressure natural polyethylenes Eur. Polym. J. 1971, 7, 913-932
60. Wang, B.-g.; Lv, H.-l.; Yang, J.-c. Estimation of solvent diffusion coefficient in amorphous polymers using the Sanchez-Lacombe equation-of-state Chem. Eng. Sci. 2007, 62, 775-782
61. Crank, J.; Park, G. S. Diffusion in polymers; Academic Press: London, 1968.
62. Saleem, M.; Asfour, A.-F. A.; De Kee, D. Diffusion of organic penetrants through low density polyethylene (LDPE) films: Effect of size and shape of the penetrant molecules J. Appl. Polym. Sci. 1989, 37, 617-625
63. Rusina, T. P.; Smedes, F.; Klanova, J. Diffusion coefficients of polychlorinated biphenyls and polycyclic aromatic hydrocarbons in polydimethylsiloxane and low-density polylethylene polymers J. Appl. Polym. Sci. 2010, 116 (3) 1803-1810
64. Rusina, T. P.; Smedes, F.; Klanova, J.; Booij, K.; Holoubek, I. Polymer selection for passive sampling: A comparison of critical properties Chemosphere 2007, 68 (7) 1344-1351
65. Simko, P.; Simon, P.; Khunova, V. Removal of polycyclic aromatic hydrocarbons from water by migration into polyethylene Food Chem. 1999, 64, 157-161
66. Howell, B. F.; McCrackin, F. L.; Wang, F. W. Fluorescence measurements of the diffusion coefficient for butylated hydroxyanisole in low-density polyethylene Polym. 1985, 26, 433-436
67. Al-Malaika, S.; Goonetileka, M. D. R. J.; Scott, G. Migration of 4-substituted 2-hydroxy benzophenones in low density polyethylene: Part I-diffusion characteristics Polym. Degrad. Stab. 1991, 32, 231-247
68. Reynolds, G. W.; Hoff, J. T.; Gilham, R. W. Sampling bias caused by materials used to monitor halocarbons in groundwater Environ. Sci. Technol. 1990, 24, 135-142
69. Peychès-Bach, A.; Moutounet, M.; Peyron, S.; Chalier, P. Factors determining the transport coefficients of aroma compounds through polyethylene films J. Food Eng. 2009, 95, 45-53
70. Yeom, C. K.; Huang, R. Y. M. A new method for determining the diffusion coefficients of penetrants through polymeric membranes from steady state pervaporation experiments J. Membr. Sci. 1992, 68, 11-20
71. Aminabhavi, T. M.; Naik, H. G. Chemical compatibility study of geomembranes-sorption, desorption, diffusion and swelling phenomena J. Hazard. Mater. 1998, 60, 175-203
72. Pearlman, R. S., Molecular surface areas and volumes and their use in structure/activity relationships. In Physical chemical properties of drugs; Yalkowsky, S. H.; Sinkula, A. A.; Valvani, S. C., Eds.; Marcel Dekker: New York, 1980; pp 321-347.
73. Doucette, W. J.; Andren, A. W. Correlation of octanol water partition-coefficients and total molecular-surface area for highly hydrophobic aromatic-compounds Environ. Sci. Technol. 1987, 21 (8) 821-824
74. Savol3, version 5.0; University of Texas, Austin, TX.
75. Vrana, B.; Schuurmann, G. Calibrating the uptake kinetics of semipermeable membrane devices in water: Impact of hydrodynamics Environ. Sci. Technol. 2002, 36 (2) 290-296
76. Booij, K.; Smedes, F.; van Weerlee, E. M. Spiking of performance reference compounds in low density polyethylene and silicone passive water samplers Chemosphere 2002, 46 (8) 1157-1161
77. Komarova, T. V.; Bartkow, M. E.; Rutishauser, S.; Carter, S.; Mueller, J. F. Evaluation and in situ assessment of photodegradation of polyaromatic hydrocarbons in semipermeable membrane devices deployed in ocean water Environ. Pollut. 2009, 157 (3) 731-736
78. Booij, K.; Smedes, F. An improved method for estimating in situ sampling rates of nonpolar passive samplers Environ. Sci. Technol. 2010, 44 (17) 6789-6794
79. Levich, V. G. Physicochemical hydrodynamics; Prentice Hall, Inc.: Englewood Cliffs, NJ, 1962; pp 1-700.
80. Lohmann, R.; Muir, D. C. G. Global aquatic passive sampling (AQUA-GAPS): Using passive samplers to monitor POPs in the waters of the world (feature article) Environ. Sci. Technol. 2010, 44 (3) 860-864
81. Shiu, W. Y.; Ma, K. C. Temperature dependence of physical-chemical properties of selected chemicals of environmental interest. I. Mononuclear and polynuclear aromatic hydrocarbons J. Phys. Chem. Ref. Data 2000, 29 (1) 41-130
82. Lei, Y. D.; Wania, F.; Shiu, W. Y.; Boocock, D. G. B. HPLC-based method for estimating the temperature dependence of n-octanol-water partition coefficients J. Chem. Eng. Data 2000, 45 (5) 738-742