Physical, Theoretical & Computational

Reactive Intermediates in Combustion and Atmospheric Chemistry (#419)

Combustion and atmospheric chemistry have central, interrelated roles in our society that impact human health and global climate. Reactive intermediates are the key species that determine outcomes of chemical reaction networks in these complex environments. In both areas, accurate simulations of chemical systems, which will impact policy and society, will only be produced by the coordinated efforts of experimentalists, theorists, and modelers. This symposium will bring together these three groups to discuss cutting-edge research in reactive intermediates. Participants will explore the latest experimental probes of radicals, biradicals, carbenes, and meta-stable closed-shell species, the detailed theory that predicts their structure and reactivity, and the incorporation of these results into accurate but tractable models describing the full chemical systems in which they function. Specific topics include, but are not limited to: atmospheric autooxidation, molecular weight growth, autoignition, ozonolysis, chemical kinetics and dynamics, fundamental spectroscopy, potential energy surfaces, model construction and model reduction. The main goal is to foster greater communication among experimentalists, theorists, and modelers, catalyzing international collaborations that will speed progress in understanding reactive intermediates and their broader impacts.
Last update: Dec 28, 2015