title: Evaluation of one-dimensional and two-dimensional volatility basis sets in simulating the aging of secondary organic aerosol with smog-chamber experiments.
abstract: We evaluate the one-dimensional volatility basis set (1D-VBS) and two-dimensional volatility basis set (2D-VBS) in simulating the aging of SOA derived from toluene and α-pinene against smog-chamber experiments. If we simulate the first-generation products with empirical chamber fits and the subsequent aging chemistry with a 1D-VBS or a 2D-VBS, the models mostly overestimate the SOA concentrations in the toluene oxidation experiments. This is because the empirical chamber fits include both first-generation oxidation and aging; simulating aging in addition to this results in double counting of the initial aging effects. If the first-generation oxidation is treated explicitly, the base-case 2D-VBS underestimates the SOA concentrations and O:C increase of the toluene oxidation experiments; it generally underestimates the SOA concentrations and overestimates the O:C increase of the α-pinene experiments. With the first-generation oxidation treated explicitly, we could modify the 2D-VBS configuration individually for toluene and α-pinene to achieve good model-measurement agreement. However, we are unable to simulate the oxidation of both toluene and α-pinene with the same 2D-VBS configuration. We suggest that future models should implement parallel layers for anthropogenic (aromatic) and biogenic precursors, and that more modeling studies and laboratory research be done to optimize the "best-guess" parameters for each layer.
authors.affiliation: State Key Joint Laboratory of Environment Simulation and Pollution Control, School of Environment, Tsinghua University , Beijing 100084, China.
authors.forename: Bin
authors.initials: B
authors.lastname: Zhao
authors.forename: Shuxiao
authors.initials: S
authors.lastname: Wang
authors.forename: Neil M
authors.initials: NM
authors.lastname: Donahue
authors.forename: Wayne
authors.initials: W
authors.lastname: Chuang
authors.forename: Lea
authors.initials: L
authors.lastname: Hildebrandt Ruiz
authors.forename: Nga L
authors.initials: NL
authors.lastname: Ng
authors.forename: Yangjun
authors.initials: Y
authors.lastname: Wang
authors.forename: Jiming
authors.initials: J
authors.lastname: Hao
mesh_terms: D000336:Aerosols; D000393:Air Pollutants / Q000032:analysis / Q000737:chemistry*; D000081008:Bicyclic Monoterpenes; D008962:Models, Theoretical; D039821:Monoterpenes / Q000032:analysis / Q000737:chemistry*; D010084:Oxidation-Reduction; D012905:Smog; D014050:Toluene / Q000032:analysis / Q000737:chemistry*; D014835:Volatilization
chemical_list: D000336:Aerosols; D000393:Air Pollutants; D000081008:Bicyclic Monoterpenes; D039821:Monoterpenes; D012905:Smog; D014050:Toluene; C005451:alpha-pinene