10th International Aerosol Conference September 2 - September 7, 2018 America's Center Convention Complex St. Louis, Missouri, USA
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Coupled Gas and Particle Phase Modeling of Isoprene SOA Formation
KELVIN BATES, Rebecca Schwantes, John Seinfeld, California Institute of Technology
Abstract Number: 1536 Working Group: Aerosol Modeling
Abstract Following the creation of a state-of-science gas-phase isoprene oxidation mechanism, a new module has been developed to simulate secondary organic aerosol (SOA) formation from isoprene oxidation under a wide range of conditions by coupling a reduced version of the gas-phase mechanism to a simplified particle-phase mechanism. The model is prepared in Kinetic PreProcessor (KPP) format for easy simulation of environmental chamber experiments. We present results from a series of simulations of experiments performed in the Caltech environmental chambers investigating SOA yields directly from OH-initiated isoprene and methacrolein oxidation under various [NO], [NO2], temperature, humidity, and seed aerosol conditions. Both the model and the experiments incorporate SOA formation from isoprene epoxydiols (IEPOX), methacryloyl peroxynitrate (MPAN), and highly functionalized semi-volatile isoprene derivatives. The model code will be made freely available online as part of the existing gas-phase isoprene oxidation mechanism (DOI 10.22002/D1.247).