Semivolatile PAH and n-alkane gas/particle partitioning using the dual model: up-to-date coefficients and comparison with experimental data

Environ Sci Pollut Res Int. 2014 Sep;21(17):10163-73. doi: 10.1007/s11356-014-2902-z. Epub 2014 May 6.

Abstract

The gas/particle partitioning coefficient K p, of a semivolatile compound is a key parameter for its atmospheric fate. The most complete method of predicting K p for polycyclic aromatic hydrocarbons (PAHs) is offered by the dual model, as it describes both the adsorption on soot and absorption into organic matter processes. However, experimental and model data exist almost exclusively for PAHs. In order to bridge this gap, experimental data on the phase partitioning of both PAHs and n-alkanes were collected at an urban and a remote site. Moreover, all the necessary parameters (e.g., octanol-air and soot-air partitioning coefficients) for the dual model have been collected and updated or (if missing) estimated for the first time. The results point out that both absorption and adsorption seem to contribute to the partitioning of PAHs and n-alkanes. However, it seems that the dual model always underestimates the particle sorption not only for PAHs but also for n-alkanes.

Publication types

  • Comparative Study

MeSH terms

  • Adsorption
  • Air Pollutants / analysis
  • Air Pollutants / chemistry*
  • Alkanes / analysis
  • Alkanes / chemistry*
  • Environmental Monitoring
  • Gases / analysis
  • Gases / chemistry*
  • Models, Chemical*
  • Models, Theoretical
  • Particulate Matter / analysis
  • Particulate Matter / chemistry*
  • Polycyclic Aromatic Hydrocarbons / analysis
  • Polycyclic Aromatic Hydrocarbons / chemistry*
  • Soot

Substances

  • Air Pollutants
  • Alkanes
  • Gases
  • Particulate Matter
  • Polycyclic Aromatic Hydrocarbons
  • Soot