Use of a Lennard-Jones calculation for molecular diffusivity of pollutant gases in the PBL and its bearing on scavenging models

Abstract

Use of a Lennard-Jones calculation for estimation of molecular diffusivity of gases like SO₂ for use in scavenging models is recommended. A profile of molecular diffusivity of SO₂ in air through the PBL is obtained. Results indicate a change of about 17.5% between the diffusivity values at the surface and at the top of the PBL. The possible changes that could result in scavenging model calculations due to this change are also discussed.