Uptake and chemical dynamics of atmospheric oxidants at aqueous and organic interfaces

COLL 67

Douglas J. Tobias, dtobias@uci.edu, Department of Chemistry and AirUCI, University of California at Irvine, Irvine, CA 92697
A complete description of heterogeneous chemical reactions occurring at the gas-particle interface of atmospheric aerosols requires knowledge of the chemical composition of the interfacial region, as well as the rates of collisions of the reacting species and the corresponding reaction probabilities. I will present results from molecular dynamics simulations aimed at predicting the distribution of reactive species at the gas-particle interface of aqueous and organic aerosol particles, and simulations of the uptake and transport of atmospheric oxidants into the particles, from which the rates and lifetimes of the collisions between the oxidants and reactive species in the particles have been estimated.