Record Display for the EPA National Library Catalog


Main Title Mathematical Simulation of Smog Chamber Photochemical Experiments.
Author Hecht, Thomas A. ; Liu, Mei-Kao ; Whitney., David C. ;
CORP Author Systems Applications, Inc., San Rafael, Calif.;National Environmental Research Center, Research Triangle Park, N.C. Chemistry and Physics Lab.
Year Published 1974
Report Number R74-9; EPA-68-02-0580; EPA/650/4-74-040;
Stock Number PB-238 094
Additional Subjects Smog ; Photochemical reactions ; Atmospheric models ; Hydrocarbons ; Nitrogen oxides ; Reaction kinetics ; Rates(Per time) ; Alkenes ; Alkanes ; Experimental data ; Steady state ; Mathematical models ; Ozone ; Chemical reaction mechanisms ; Atmospheric chemistry ; Smog chambers
Internet Access
Description Access URL
Library Call Number Additional Info Location Last
NTIS  PB-238 094 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 193p
This report deals with the continued development and testing of a general kinetic mechanism for photochemical smog formation. In line with recent experimental measurements, several rate constant values were updated, and simulations of several n-butane/NOx, propylene/NOx, and n-butane/propylene/NOx smog chamber experiments were repeated. The predictions made tend to be best at high ratios of initial hydrocarbons to NOx. A sensitivity analysis of the mechanism was carried out, and the results were combined with uncertainty estimates of the rate constants to quantify the importance of determining individual rate constants with greater accuracy. Operating parameters of the University of California, Riverside, (UCR) evacuable smog chamber were considered in detail; experimental data from this chamber will soon be used to test the mechanism further. Finally, the report discusses the validity of the steady-state approximation in simulating smog chamber experiments and some techniques for mathematically combining a number of similar organic species into general groupings.