Error propagation in fugacity level-III models in the case of uncertain physicochemical compound properties

Environmental Toxicology and Chemistry

Volumn 16, Issue 10, 1997, Pages 2067-2069

  Kühne, Ralph ^a   Breitkopf, Cornelia ^a   Schüürmann, Gerrit ^a  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

Author keywords

Environmental fate; Fugacity model; Physicochemical properties; Sensitivity analysis; Uncertainty

Indexed keywords

OCTANOL; WATER;

AIR POLLUTION; ARTICLE; BIODEGRADATION; ECOTOXICITY; PRIORITY JOURNAL; SOIL POLLUTION; SYSTEM ANALYSIS; WATER POLLUTION;

EID: 0343247723     PISSN: 07307268     EISSN: None     Source Type: Journal    
DOI: 10.1897/1551-5028(1997)016<2067:SCEPIF>2.3.CO;2     Document Type: Article

References (18)

1. Mackay, D. 1991. Multimedia Environmental Models. Lewis, Chelsea, MI, USA.
2. Mackay, D., S. Paterson and W.Y. Shiu. 1992. Generic models for evaluating the regional fate of chemicals. Chemosphere 24: 695-717.
3. Mackay, D., A. Diguardo, S. Paterson, G. Kicsi and C.E. Cowan. 1996. Assessing the fate of new and existing chemicals: A five-stage process. Environ. Toxicol. Chem. 15:1618-1626.
4. Mackay, D., A. Diguardo, S. Paterson and C.E. Cowan. 1996. Evaluating the environmental fate of a variety of types of chemicals using the EQC model. Environ. Toxicol. Chem. 15:1627-1637.
5. Mackay, D., A. Diguardo, S. Paterson, G. Kicsi, C.E. Cowan and M. Kane. 1996. Assessment of chemical fate in the environment using evaluative, regional and local-scale models: Illustrative application to chlorobenzene and linear alkylbenzene sulfonates. Environ. Toxicol. Chem. 15:1638-1648.
6. Devillers, J., S. Bintein and W. Karcher. 1995. CHEMFRANCE: A regional level III fugacity model applied to France. Chemosphere 30:457-476.
7. Severinsen, M., M.B. Andersen, F. Chen and N. Nyholm. 1996. A regional chemical fate and exposure model suitable for Denmark and its coastal sea. Chemosphere 32:2159-2175.
8. Schüürmann, G. 1997. Ecotoxic modes of action of chemical substances. In G. Schüürmann and B. Markert, eds., Ecotoxicology. John Wiley & Sons, New York, NY, USA (in press).
9. Schüürmann, G. and C. Rothenbacher. 1992. Evaluation of estimation methods for the air-water partition coefficient. Fresenius Environ. Bull. 1:10-15.
10. Kühne, R., C. Rothenbacher, P. Herth and G. Schüürmann. 1994. Group contribution methods for physicochemical properties of compounds. In C. Jochum, ed., Software Development in Chemistry 8. Gesellschaft Deutscher Chemiker (GDCh), Frankfurt, Germany, pp. 207-224.
11. Schüürmann, G., R. Kühne, R.-U. Ebert and F. Kleint. 1995. Multivariate error analysis of increment methods for calculating the octanol/water partition coefficient. Fresenius Environ. Bull. 4:13-18.
12. Howard, P.H. and W.M. Meylan. 1997. Prediction of physical properties, transport, and degradation for environmental fate and exposure assessments. In F. Chen and G. Schüürmann, eds., QSAR in Environmental Sciences - VII. SETAC, Pensacola, FL, USA (in press).
13. Bidleman, T.F. 1988. Atmospheric processes. Environ. Sci. Technol. 22:361-367.
14. Daylight Chemical Information Systems. 1994. Daylight software: CLOGP-4.34. Irvine, CA, USA.
15. Meylan, W.M. and P.H. Howard. 1991. Bond contribution method for estimating Henry's Law constants. Environ. Toxicol. Chem. 10:1283-1293.
16. Mackay, D., W.Y. Shiu and K.C. Ma. 1992. Illustrated Handbook of Physical-chemical Properties and Environmental Fate for Organic Chemicals. Lewis, Chelsea, MI, USA.
17. Schüürmann, G., R. Kühne, F. Kleint, R.-U. Ebert, C. Rothenbacher and P. Herth. 1997. A software system for automatic chemical property estimation from molecular structure. In F. Chen and G. Schüürmann, eds., QSAR in Environmental Sciences -VII. SETAC, Pensacola, FL, USA (in press).
18. Press, W.H., B.P. Flannery, S.A. Teukolsky and W.T. Vetterling. 1989. Numerical Recipes (Fortran version). Cambridge University Press, New York, NY, USA, pp. 202-203.