title: Estimated effects of composition on secondary organic aerosol mass concentrations.
abstract: The composition dependence of secondary organic aerosol (SOA) mass concentrations is explored using an absorptive partitioning model under a variety of simplified atmospheric conditions. A thermodynamic model based on the Wilson equation is used to estimate activity coefficients for mixtures containing primary organics, secondary organics, and water. Changes in the mean molecular weight of the absorbing aerosol mixture due to the presence of water are also accounted for. Model simulations use semivolatile and primary organic components with differing affinities for each other and for water. Results suggest that aerosol composition has an effect on SOA levels that is significant and comparable in magnitude to those due to diurnal temperature variations and semivolatile precursor emission rates. For dissimilar organic components at zero relative humidity, predicted peak SOA mass concentrations are reduced up to 45%. Under low and high relative humidity conditions, SOA levels increase by 3-41% and 11-130%, respectively, depending on the hydrophobicity of the organic components, with maximum concentrations at night when humidity is highest Effects are most pronounced for relatively volatile components that are most sensitive to shifts in the amount and type of absorbing aerosol.
authors.affiliation: Department of Chemical Engineering, Vanderbilt University, Nashville, Tennessee 37235, USA. frank.m.bowman@vanderbilt.edu
authors.forename: Frank M
authors.initials: FM
authors.lastname: Bowman
authors.forename: Ana M
authors.initials: AM
authors.lastname: Karamalegos
mesh_terms: D000336:Aerosols / Q000737:chemistry*; D000392:Air Movements; D000393:Air Pollutants / Q000032:analysis*; D008956:Models, Chemical; D009930:Organic Chemicals; D013696:Temperature; D013816:Thermodynamics; D014835:Volatilization
chemical_list: D000336:Aerosols; D000393:Air Pollutants; D009930:Organic Chemicals