Modeling the air–soil transport pathway of perfluorooctanoic acid in the mid-Ohio Valley using linked air dispersion and vadose zone models

Abstract As part of an extensive modeling effort on the air–soil-groundwater transport pathway of perfluorooctanoic acid (PFOA), this study was designed to compare the performance of different air dispersion modeling systems (AERMOD vs. ISCST3), and different approaches to handling incomplete meteorological data using a data set with substantial soil measurements and a well characterized point source for air emissions. Two of the most commonly used EPA air dispersion models, AERMOD and ISCST3, were linked with the EPA vadose zone model PRZM-3. Predicted deposition rates from the air dispersion model were used as input values for the vadose zone model to estimate soil concentrations of PFOA at different depths. We applied 34 years of meteorological data including hourly surface measurements from Parkersburg Airport and 5 years of onsite wind direction and speed to the air dispersion models. We compared offsite measured soil concentrations to predictions made for the corresponding sampling depths, focusing on soil rather than air measurements because the offsite soil samples were less likely to be influenced by short-term variability in emission rates and meteorological conditions. PFOA concentrations in surface soil (0–30 cm depth) were under-predicted and those in subsurface soil (>30 cm depth) were over-predicted compared to observed concentrations by both linked air and vadose zone model. Overall, the simulated values from the linked modeling system were positively correlated with those observed in surface soil (Spearman’s rho, R sp  = 0.59–0.70) and subsurface soil ( R sp  = 0.46–0.48). This approach provides a useful modeling scheme for similar exposure and risk analyses where the air–soil-groundwater transport is a primary contamination pathway.

[1]  M Roberfroid,et al.  The modulation of rat liver carcinogenesis by perfluorooctanoic acid, a peroxisome proliferator. , 1991, Toxicology and applied pharmacology.

[2]  M. H. Russell,et al.  A Site-Specific Screening Comparison of Modeled and Monitored Air Dispersion and Deposition for Perfluorooctanoate , 2010, Journal of the Air & Waste Management Association.

[3]  J. Finkelstein,et al.  Acute pulmonary effects of ultrafine particles in rats and mice. , 2000, Research report.

[4]  B. Sanders,et al.  Environmental fate and transport modeling for perfluorooctanoic acid emitted from the Washington Works Facility in West Virginia. , 2011, Environmental science & technology.

[5]  T. Fletcher,et al.  Predictors of PFOA Levels in a Community Surrounding a Chemical Plant , 2009, Environmental health perspectives.

[6]  E. Kissa,et al.  Fluorinated Surfactants and Repellents , 2001 .

[7]  H. Arp,et al.  Predicting the Partitioning Behavior of Various Highly Fluorinated Compounds , 2006 .

[8]  Ian T Cousins,et al.  Sources, fate and transport of perfluorocarboxylates. , 2006, Environmental science & technology.

[9]  Perfluorooctanoate (PFO) in Forest Soils near a Fluoropolymer Manufacturing Facility , 2010 .

[10]  Darcy C Burns,et al.  Experimental pKa determination for perfluorooctanoic acid (PFOA) and the potential impact of pKa concentration dependence on laboratory-measured partitioning phenomena and environmental modeling. , 2008, Environmental science & technology.

[11]  Dennis J. Paustenbach,et al.  A Methodology for Estimating Human Exposure to Perfluorooctanoic Acid (PFOA): A Retrospective Exposure Assessment of a Community (1951–2003) , 2006, Journal of toxicology and environmental health. Part A.

[12]  Roger G Perkins,et al.  The Toxicology of Perfluorooctanoate , 2004, Critical reviews in toxicology.

[13]  Richard G Luthy,et al.  Sorption of perfluorinated surfactants on sediments. , 2006, Environmental science & technology.

[14]  W. Pryor,et al.  Chemical, physical, and toxicological characterization of fumes produced by heating tetrafluoroethene homopolymer and its copolymers with hexafluoropropene and perfluoro(propyl vinyl ether). , 1991, Chemical research in toxicology.

[15]  Mark H Russell,et al.  Partitioning and removal of perfluorooctanoate during rain events: the importance of physical-chemical properties. , 2007, Journal of environmental monitoring : JEM.

[16]  L. Shaw,et al.  Community Exposure to Perfluorooctanoate: Relationships Between Serum Concentrations and Exposure Sources , 2006, Journal of occupational and environmental medicine.

[17]  M. Kaiser,et al.  Transport of ammonium perfluorooctanoate in environmental media near a fluoropolymer manufacturing facility. , 2007, Chemosphere.

[18]  I. Cousins,et al.  Modeling the Global Fate and Transport of Perfluorooctanoic acid (PFOA) and Perfluorooctanoate (PFO) Emitted from Direct Sources Using a Multispecies Mass Balance Model , 2009 .

[19]  D. Savitz,et al.  Epidemiologic Evidence on the Health Effects of Perfluorooctanoic Acid (PFOA) , 2010, Environmental health perspectives.

[20]  C. Lau,et al.  Perfluoroalkyl acids: a review of monitoring and toxicological findings. , 2007, Toxicological sciences : an official journal of the Society of Toxicology.

[21]  K. Steenland,et al.  Retrospective Exposure Estimation and Predicted versus Observed Serum Perfluorooctanoic Acid Concentrations for Participants in the C8 Health Project , 2011, Environmental health perspectives.

[22]  Kai-Uwe Goss,et al.  The pKa values of PFOA and other highly fluorinated carboxylic acids. , 2008, Environmental science & technology.

[23]  C. Lau,et al.  Effects of perfluorooctanoic acid exposure during pregnancy in the mouse. , 2006, Toxicological sciences : an official journal of the Society of Toxicology.

[24]  R. Schwarzenbach,et al.  Environmental Organic Chemistry , 1993 .

[25]  W. Meylan,et al.  Atom/fragment contribution method for estimating octanol-water partition coefficients. , 1995, Journal of pharmaceutical sciences.

[26]  S. Amemiya,et al.  High lipophilicity of perfluoroalkyl carboxylate and sulfonate: implications for their membrane permeability. , 2009, Journal of the American Chemical Society.

[27]  B Beije,et al.  On the mechanism of the hepatocarcinogenicity of peroxisome proliferators. , 1991, Chemico-biological interactions.

[28]  Sierra Rayne,et al.  Perfluoroalkyl sulfonic and carboxylic acids: A critical review of physicochemical properties, levels and patterns in waters and wastewaters, and treatment methods , 2009, Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering.

[29]  Tony Fletcher,et al.  The C8 Health Project: Design, Methods, and Participants , 2009, Environmental health perspectives.

[30]  R. G. York,et al.  Neonatal mortality from in utero exposure to perfluorooctanesulfonate (PFOS) in Sprague-Dawley rats: dose-response, and biochemical and pharamacokinetic parameters. , 2005, Toxicology.