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  • Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors.

Simulations of smog-chamber experiments using the two-dimensional volatility basis set: linear oxygenated precursors.

Environmental science & technology (2012-09-14)
Heber J Chacon-Madrid, Benjamin N Murphy, Spyros N Pandis, Neil M Donahue
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.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Pentadecane, ≥99%
Sigma-Aldrich
Pentadecane, ≥98.0% (GC)
Supelco
Pentadecane, analytical standard