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RECORD NUMBER: 32 OF 136

OLS Field Name OLS Field Data
Main Title Determination of rates of reaction in the gas-phase in the troposphere : theory and practice. 3. Rate of indirect photoreaction /
Author Leifer, Asa,
CORP Author Environmental Protection Agency, Washington, DC. Office of Toxic Substances.
Publisher U.S. Environmental Protection Agency, Office of Toxic Substances,
Year Published 1992
Report Number EPA/700/R-92/002
Stock Number PB92-150374
OCLC Number 45840281
Subjects Tropospheric chemistry--Mathematical models. ; Hydroxyl group--Environmental effects. ; Air--Pollution--Mathematical models.
Additional Subjects Reaction kinetics ; Atmospheric chemistry ; Photochemical reactions ; Air pollution ; Hydroxyl radicals ; Molecular structure ; Chemical reactivity ; Troposphere ; Error analysis ; Oxidation ; Organic compounds ; Mathematical models ; Structure reactivity relationships ; Toxic Substances Control Act
Holdings
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Status
NTIS  PB92-150374 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. NTIS 01/01/1988
Collation 238 pages ; 28 cm
Abstract
The report describes the development of structure/reactivity (S/R) relationships of Atkinson for the estimation of the 2nd-order rate constant k(OH) for the reaction of OH radicals with organic chemicals in the troposphere. These S/R relationships were used to estimate k(OH) at 298 K of 405 chemicals covering a variety of classes and compares them with the experimental values (% Error). Of the 405 chemicals, 20 had a % error > +100 and were omitted in the analyses. For the 385 remaining chemicals, the average % error ranged from +21 to -19. One hundred fifty-four chemicals were not used by Atkinson to derive the parameters in the S/R relationships and, therefore, were good candidates to test the validity of the S/R relationships. The average percent error of the 154 chemicals ranged from +24 to -20, thereby confirming the S/R relationships. A discussion is given on the estimation of the half-life of a chemical in the troposphere from k(OH) and the average OH concentration. The report represents the technical support document for a test guideline which can be used under section 4 of the Toxic Substances Control Act.
Notes
"EPA 700-R-92-002." Includes bibliographical references (pages 205-221). "3. Rate of indirect photoreaction: technical support document for Test guideline section 796.3900. Structure/reactivity relationships for estimating the second-order rate constant for the reaction of an organic chemical with hydroxyl radicals." Microfiche.