Accession Number : ADA256275


Title :   Molecular Properties and Fate of Organic Chemicals


Descriptive Note : Annual rept. 15 Aug 1989-14 Aug 1990


Corporate Author : WISCONSIN UNIV-MADISON WATER CHEMISTRY PROGRAM


Personal Author(s) : Andren, Anders W


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a256275.pdf


Report Date : 14 Aug 1990


Pagination or Media Count : 33


Abstract : 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.


Descriptors :   *PHOTOLYSIS , *AROMATIC HYDROCARBONS , AIR FORCE , COMPUTERS , LIQUIDS , VAPORS , SOLUTES , VAPOR PRESSURE , CHLOROBENZENE , COLLOIDS , SOLUBILITY , HYDROCARBONS , LIQUID PHASES , THERMODYNAMICS , CHEMICALS , DEGRADATION


Subject Categories : Industrial Chemistry and Chemical Processing
      Organic Chemistry
      Environmental Health and Safety


Distribution Statement : APPROVED FOR PUBLIC RELEASE