Molecular Properties and Fate of Organic Chemicals
Annual rept. 15 Aug 1989-14 Aug 1990
WISCONSIN UNIV-MADISON WATER CHEMISTRY PROGRAM
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The overall objectives for this project is to improve and evaluate present assessment procedures which are designed to predict the transport and fates including degradation pathways, of compounds of interest to the Air Force sphere. Specifically, our subobjectives may be summarized to 1 Continue to update and improve aqueous solubility octanol-water partition coefficient, and vapor pressure predictive techniques as new property data appear in the literature. 2 Study the effect of co-solvents, co-solutes, colloids, and temperature on aqueous solubility of solutes of interests and evaluate develop thermodynamic, semiempirical, and empirical predictive schemes. 3 Evaluate and develop structure-activity relationships to predict rates, mechanisms, and extent of environmental abiotic and biotic degradation of chemicals of environmental interest. 4 Provide realistic computer generated compound behavior profiles for a variety of these compounds. In this progress report we address what we feel are the most important environmental degradation pathways in addition to direct photolysis, namely liquid phase homogeneous and heterogeneous OH radical reactions. We have focussed our attention on chlorinated aromatic hydrocarbons chlorobenzene, since these compounds cover a broad range of compounds that are of environmental interest.
- Industrial Chemistry and Chemical Processing
- Organic Chemistry
- Environmental Health and Safety