Computational Simulation of Secondary Organic Aerosol Formation in Laboratory Chambers

In the atmosphere, certain volatile organic compounds (VOCs) undergo oxidation. Some of these oxidation products then condense into the particle phase. Oxidation products that transform into the particle phase by this route are termed secondary organic aerosol (SOA). Understanding the route by which particulate matter is formed from these reactions is a key challenge in atmospheric chemistry. The principal understanding of SOA formation is derived from studies in laboratory chambers, for which determination of the amount of SOA formed requires a rigorous, quantitative understanding of chamber phenomena. With computational simulation of the processes occurring within an environmental chamber, the extrapolation to atmospheric conditions can be assessed. Moreover, computational chamber modeling of secondary organic aerosol formation will become an integral part of experimental design and data analysis. Here, we present a comprehensive review of processes involved in laboratory chamber SOA formation with a focus on the coupling between different physicochemical processes and understanding that has recently emerged.