Glycine in aerosol water droplets : a critical assessment of Köhler theory by predicting surface tension from molecular dynamics simulations

• 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.

Subject headings

NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

NATURVETENSKAP  -- Geovetenskap och miljövetenskap -- Meteorologi och atmosfärforskning (hsv//swe)

NATURAL SCIENCES  -- Earth and Related Environmental Sciences -- Meteorology and Atmospheric Sciences (hsv//eng)

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Keyword

Theoretical chemistry

Teoretisk kemi

Atmosphere and hydrosphere sciences

Atmosfärs- och hydrosfärsvetenskap

Chemistry

Kemi

atmosfärvetenskap och oceanografi

Publication and Content Type

ref (subject category)

art (subject category)