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Träfflista för sökning "L773:1680 7316 srt2:(2011);lar1:(kth)"

Search: L773:1680 7316 > (2011) > Royal Institute of Technology

  • Result 1-2 of 2
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  • Hede, Thomas, 1975-, et al. (author)
  • Model HULIS compounds in nanoaerosol clusters : investigations of surface tension and aggregate formation using molecular dynamics simulations
  • 2011
  • In: Atmospheric Chemistry And Physics. - : Copernicus GmbH. - 1680-7316 .- 1680-7324. ; 11:13, s. 6549-6557
  • Journal article (peer-reviewed)abstract
    • Cloud condensation nuclei act as cores for water vapour condensation, and their composition and chemical properties may enhance or depress the ability for droplet growth. In this study we use molecular dynamics simulations to show that model humic-like substances (HULIS) in systems containing 10 000 water molecules mimic experimental data well referring to reduction of surface tension. The model HULIS compounds investigated in this study are cis-pinonic acid (CPA), pinic acid (PAD) and pinonaldehyde (PAL). The structural properties examined show the ability for the model HULIS compounds to aggregate inside the nanoaerosol clusters.
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2.
  • Li, Xin, et al. (author)
  • Glycine in aerosol water droplets : a critical assessment of Köhler theory by predicting surface tension from molecular dynamics simulations
  • 2011
  • In: Atmospheric Chemistry And Physics. - : Copernicus GmbH. - 1680-7316 .- 1680-7324. ; 11:2, s. 519-527
  • Journal article (peer-reviewed)abstract
    • Aerosol particles in the atmosphere are important participants in the formation of cloud droplets and have significant impact on cloud albedo and global climate. According to the Kohler theory which describes the nucleation and the equilibrium growth of cloud droplets, the surface tension of an aerosol droplet is one of the most important factors that determine the critical supersaturation of droplet activation. In this paper, with specific interest to remote marine aerosol, we predict the surface tension of aerosol droplets by performing molecular dynamics simulations on two model systems, the pure water droplets and glycine in water droplets. The curvature dependence of the surface tension is interpolated by a quadratic polynomial over the nano-sized droplets and the limiting case of a planar interface, so that the so-called Aitken mode particles which are critical for droplet formation could be covered and the Kohler equation could be improved by incorporating surface tension corrections.
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  • Result 1-2 of 2
Type of publication
journal article (2)
Type of content
peer-reviewed (2)
Author/Editor
Ågren, Hans (2)
Li, Xin (2)
Leck, Caroline (2)
Tu, Yaoquan (2)
Hede, Thomas, 1975- (2)
University
Royal Institute of Technology  (2)Undo refine
Stockholm University (2)
Örebro University (1)
Language
English (2)
Research subject (UKÄ/SCB)
Natural sciences (2)
Year
2011 (2)Undo refine

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