Main Title |
Determination of rates of reaction in the gas-phase in the troposphere theory and practice / |
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-92-011; PB92150374 |
Stock Number |
PB92-150374 |
OCLC Number |
27183468 |
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
|
Internet Access |
|
Holdings |
Library |
Call Number |
Additional Info |
Location |
Last Modified |
Checkout Status |
EJED |
EPA 700-R-92-011 |
|
OCSPP Chemical Library/Washington,DC |
09/07/2012 |
NTIS |
PB92-150374 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
Collation |
xvi, 221 p. ; 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." "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"--T.p. Includes bibliography (p. 205-221). |