Record Display for the EPA National Library Catalog

RECORD NUMBER: 33 OF 142

Main Title Determination of rates of reaction in the gas-phase in the troposphere : theory and practice. 5. Rate of indirect photoreaction /
Author Leifer, Asa,
CORP Author Environmental Protection Agency, Washington, DC. Office of Pollution, Prevention, and Toxics.
Publisher U.S. Environmental Protection Agency, Office of Toxic Substances,
Year Published 1993
Report Number EPA/744/R-93/001
Stock Number PB93-149334
OCLC Number 46438514
Subjects Tropospheric chemistry--Mathematical models ; Hydroxyl group--Environmental effects ; Air--Pollution--Mathematical models
Additional Subjects Hydroxyl radicals ; Reaction kinetics ; Troposphere ; Organic compounds ; Atmospheric chemistry ; Air pollution ; Atmospheric models ; Chemical reactivity ; Computerized simulation ; Structure-activity relationships ; Toxic Substances Control Act
Internet Access
Description Access URL
https://nepis.epa.gov/Exe/ZyPDF.cgi?Dockey=9100CHEV.PDF
Holdings
Library Call Number Additional Info Location Last
Modified
Checkout
Status
EJED  EPA 744-R-93-001 OCSPP Chemical Library/Washington,DC 03/22/2002
NTIS  PB93-149334 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 162 pages ; 28 cm
Abstract
The document contains a critical review of the Atmospheric Oxidation Computer Program (AOP) for estimating the second-order rate constant k(sub OH) for the reaction of an organic chemical with hydroxyl radicals in the gas-phase in the troposphere. AOP is being used to regulate industrial chemicals under Sections 4 and 5 of the Toxic Substances Control Act. It describes the computerization of the structure/reactivity relationships of Atkinson of the University of California/Riverside by Syracuse Research Corporation. The only input needed to operate AOP is the SMILES notation, a computerized notation of the molecular structure of the chemical. The computer program will estimate k(sub OH) and the associated halflife for the reaction of organic chemicals in the atmosphere. AOP will also list an experimental value of k(sub OH) if it is available in the scientific literature.
Notes
"EPA 744-R-93-001." Includes bibliographical references. Microfiche.