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

Environ Sci Technol. 2012 Oct 16;46(20):11179-86. doi: 10.1021/es3017232. Epub 2012 Sep 25.

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.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Aerosols / chemistry*
  • Air Pollutants / chemistry*
  • Alkanes / chemistry
  • Environmental Monitoring / instrumentation
  • Environmental Monitoring / methods*
  • Kinetics
  • Models, Chemical
  • Smog*
  • Volatilization

Substances

  • Aerosols
  • Air Pollutants
  • Alkanes
  • Smog
  • pentadecane