title: Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors.
abstract: We use a two-dimensional volatility basis set (2D-VBS) box model to simulate secondary organic aerosol (SOA) mass yields of linear oxygenated molecules: n-tridecanal, 2- and 7-tridecanone, 2- and 7-tridecanol, and n-pentadecane. A hybrid model with explicit, a priori treatment of the first-generation products for each precursor molecule, followed by a generic 2D-VBS mechanism for later-generation chemistry, results in excellent model-measurement agreement. This strongly confirms that the 2D-VBS mechanism is a predictive tool for SOA modeling but also suggests that certain important first-generation products for major primary SOA precursors should be treated explicitly for optimal SOA predictions.
authors.affiliation: Center for Atmospheric Particle Studies, Carnegie Mellon University, Pittsburgh, PA 15213, USA.
authors.forename: Heber J
authors.initials: HJ
authors.lastname: Chacon-Madrid
authors.forename: Benjamin N
authors.initials: BN
authors.lastname: Murphy
authors.forename: Spyros N
authors.initials: SN
authors.lastname: Pandis
authors.forename: Neil M
authors.initials: NM
authors.lastname: Donahue
mesh_terms: D000336:Aerosols / Q000737:chemistry*; D000393:Air Pollutants / Q000737:chemistry*; D000473:Alkanes / Q000737:chemistry; D004784:Environmental Monitoring / Q000295:instrumentation / Q000379:methods*; D007700:Kinetics; D008956:Models, Chemical; D012905:Smog; D014835:Volatilization
chemical_list: D000336:Aerosols; D000393:Air Pollutants; D000473:Alkanes; D012905:Smog; C033245:pentadecane