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The overall aim is to study tropospheric formation processes of nitroaromatic compounds, which have been identified in field measurements of cloud, and rain water and some of which are know to be toxic and mutagenic.
To reach this aim, laboratory experiments on uptake and gas- and aqueous phase transformation mechanisms are performed and combined with field studies involving hyphenated analytical techniques. In particular several points were investigated:
-The uptake of polar aromatics by aqueous solutions.
-Nitration reactions with NO(3) radicals and nitronium ions in the aqueous phase and their products (in addition, OH-initiated nitration was studied in gas- and aqueous phase and nitration by NO(2) in the aqueous phase. Furthermore, major loss processes in the aqueous phase-such as photolysis and reaction with OH).
Summary:
Nitrophenols and nitrocresols are widespread toxic compounds generated in the tropospheric aqueous phase by nitration or aromatics. These compounds are toxic for plants and animals because they interfere with one of the basic cell function, namely energy transduction. Models for phytotoxicity and animal toxicity may be useful to predict the toxicological properties of compounds introduced and/or formed in the environment for risk assessment procedures.
Summary:
A two-phase box model has been developed for the physico-chemical description of the formation and conversions of the oxidation and nitration of aromatics in the gas phase and within aqueous particles. The model considers benzene, toluene, the xylenes, phenol and the cresols. The chemistry in the gas phase is described by the standard mechanism RADM2. Phase transfer into aqueous particles is described by the resistance model according to Schwarz. In solution, aromatics are oxidized by reactions of free radicals and may also be nitrated to the corresponding nitro and dinitrocompounds. The model can be used to describe multiphase chemistry of aromatics in a wide variety of applications.
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