Multi-generational oxidation model to simulate secondary organic aerosol in a 3-D air quality model

摘要: Multi-generational gas-phase oxidation of organic vapors can influence the abundance, composition and properties secondary aerosol (SOA). Only recently have SOA models been developed that explicitly represent multi-generational formation. In this work, we integrated statistical model (SOM) into SAPRC-11 to simulate gas/particle partitioning in regional UCD/CIT (University California, Davis/California Institute Technology) air quality model. SOM, evolution by reaction with hydroxyl radical is defined (1) number oxygen atoms added per reaction, (2) decrease volatility upon addition an atom (3) probability a given leads fragmentation molecule. These SOM parameter values were fit laboratory smog chamber data for each precursor/compound class. was installed model, which simulated over 2-week periods South Coast Air Basin California eastern United States. For regions episodes tested, two-product produce similar concentrations but modestly different chemical composition. Predictions oxygen-to-carbon ratio qualitatively agree those measured globally using mass spectrometers. Overall, implementation 3-D provides comprehensive framework atmospheric aerosol.