Development and testing of a chemical mechanism for atmospheric photochemical transformations of 1,3-butadiene.
1,3-Butadiene (BD) in the atmosphere is a highly reactive hazardous air pollutant, which has a short lifetime and is quickly transformed to reaction products, some of which are also toxic. The ability to predict exposure to BD and its' products requires models with chemical mechanisms which can simulate these transformations. The atmospheric photochemical reactions of BD have been studied in the University of North Carolina Outdoor smog chamber, which has been used for over 30 years to test photochemical mechanisms for air quality simulation models for ozone. Experiments have been conducted under conditions of real sunlight and realistic temperature and humidity to study the transformations of BD and to develop and test chemical mechanisms for the simulation of these processes. Experimental observation of time-concentration data of BD decay and the formation of many products is compared to simulation results. This chemical mechanism can be incorporated into air quality simulation models which can be used to estimate ambient concentrations needed for exposure estimates.
Sexton
Kenneth G
KG
CB7431, Environmental Sciences and Engineering, School of Public Health, Columbia Street, University of North Carolina, Chapel Hill, NC 27599, USA. ken_sexton@unc.edu
Doyle
Melanie L
ML
Jeffries
Harvey E
HE
Ebersviller
Seth
S
D001272:Atmosphere / Q000737:chemistry*; D001273:Atmosphere Exposure Chambers; D002070:Butadienes / Q000737:chemistry*; D009569:Nitric Oxide / Q000032:analysis; D009585:Nitrogen Dioxide / Q000032:analysis; D010084:Oxidation-Reduction / Q000528:radiation effects; D010126:Ozone / Q000032:analysis; D010777:Photochemistry / Q000379:methods*; D013472:Sunlight
D002070:Butadienes; D009569:Nitric Oxide; D010126:Ozone; C031763:1,3-butadiene; D009585:Nitrogen Dioxide