title: Comparison of multi-media transport and transformation models: regional fugacity model vs. CalTOX.
abstract: Two multimedia environmental transport and transformation computer models are summarized and compared. The regional fugacity model published by Mackay and Paterson (1991), termed Fug3ONT, is a four compartment steady-state model designed to simulate the relative distribution of nonionic organic chemicals in a multimedia system. CalTOX is a seven compartment multimedia total exposure model for hazardous waste sites. Both models are based on the principles of fugacity. CalTOX, however, separates the soil into three layers (surface, root, and vadose) and uses a different approach to estimate the diffusive mass transfer rate in soil. These differences result in lower estimates of the steady-state contaminant concentrations of six environmentally relevant chemicals in the root soil of CalTOX as compared to the bulk soil of Fug3ONT. The difference is greatest for compounds with low mobility in soil such as 2,3,7,8-Tetrachlorodibenzo-p-dioxin and Benzo(a)pyrene where estimates from CalTOX and Fug3ONT differ by more than 3 orders of magnitude. Otherwise, the models provide similar estimates for the distribution of the six chemicals among the air, water, sediment and surface soil.
authors.affiliation: Department of Environmental Toxicology, University of California, Davis 95616.
authors.forename: R L
authors.initials: RL
authors.lastname: Maddalena
authors.forename: T E
authors.initials: TE
authors.lastname: McKone
authors.forename: D W
authors.initials: DW
authors.lastname: Layton
authors.forename: D P
authors.initials: DP
authors.lastname: Hsieh
mesh_terms: D000393:Air Pollutants / Q000032:analysis / Q000378:metabolism; D000465:Algorithms; D001554:Benzene / Q000032:analysis / Q000737:chemistry; D001564:Benzo(a)pyrene / Q000032:analysis / Q000737:chemistry; D003198:Computer Simulation; D004058:Diffusion; D004785:Environmental Pollutants / Q000032:analysis / Q000378:metabolism*; D006256:Hazardous Waste; D008956:Models, Chemical; D000072317:Polychlorinated Dibenzodioxins / Q000032:analysis / Q000737:chemistry; D012987:Soil / Q000032:analysis / Q000592:standards; D012989:Soil Pollutants / Q000032:analysis / Q000378:metabolism; D013750:Tetrachloroethylene / Q000032:analysis / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis / Q000378:metabolism
chemical_list: D000393:Air Pollutants; D004785:Environmental Pollutants; D006256:Hazardous Waste; D000072317:Polychlorinated Dibenzodioxins; D012987:Soil; D012989:Soil Pollutants; D014874:Water Pollutants, Chemical; D001564:Benzo(a)pyrene; D001554:Benzene; D013750:Tetrachloroethylene