Evaluation and application of a fugacity model to explain the partitioning of contaminants in the St. Lawrence River Valley

• Published in: Water, air, and soil pollution air, and soil pollution, 1997-07, Vol.97 (3/4), p.379-395
• Main Authors: Koprivnjak, J.F, Poissant, L
• Format: Article
• Language: English
• Subjects: air pollution; Applied sciences; chemcan model; computer simulation; DDT (pesticide); emissions; Exact sciences and technology; Freshwater; Global environmental pollution; HCH (pesticide); hexachlorobenzene; insecticide residues; lindane; phenanthrene; physicochemical properties; Pollution; polycyclic hydrocarbons; prediction; principal component analysis; pyrene; rivers; simulation models; water pollution
• ISSN: 0049-6979; 1573-2932
• DOI: 10.1007/BF02407474

A fugacity-based model (CHEMCAN) for predicting the partitioning of contaminants in the environment is evaluated. Emission inventories were used to predict steady-state air and water concentrations for selected organic contaminants (phenanthrene, pyrene, alpha-HCH, lindane and DDT) in the southwestern region of Quebec, and the results compared with air concentrations measured at Villeroy, P.Q., and water concentrations in the St. Lawrence river. Predicted and field concentrations were generally in agreement, although predicted concentrations for pyrene in air were 20 times lower than the field values. The model was used to predict bulk air, water and soil emissions of the above 5 contaminants and HCB from actual air and water concentrations. The importance of various input parameters on predicted air and water concentrations for phenanthrene, lindane and HCB was shown by partial correlation analysis and Principal Components Analysis to vary according to the physicochemical properties of the species and the nature of the sources; log Kow was important for lindane and HCB, whilst the nature of the bulk sources was important for phenanthrene. There are 31 references.