A Molecular Simulation Study of the Adsorption of Polycyclic Aromatic Hydrocarbons and Ozone on Atmospheric Ice Films
نویسندگان
چکیده
Text: Polycyclic aromatic hydrocarbons (PAHs) consist of two or more carbon-hydrogen rings in which at least one ring has an aromatic structure. . PAHs are known to have important carcinogenic and mutagenic effects. Furthermore, these compounds can undergo photo chemically induced oxidation and nitration reactions with reactive oxygen species (ROSs) [e.g., ozone (O3) and radicals such as singlet oxygen, hydroperoxy (HO2), hydroxyl (OH) and nitrate (NO3)]. Reactions of PAHs with ROSs produce oxyand nitro-PAHs that are even more toxic than PAHs. PAHs can be adsorbed at the surfaces of water droplets, atmospheric aerosols, fog and mist, and ice and snow. This process consists of adsorption to the air/ice interface and dissolution in the bulk quasi-liquid layer (QLL). The processes taking place at atmospheric air/ice therefore have a profound impact on the fate and transport of PAHs and other trace gases in the
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