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Two phase box model

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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Record Number: 24471 / Last updated on: 2000-05-16
Information source:
Collaboration sought: Financial support, Further research or development support, Information exchange/Training, Licence agreement
Stage of development: Intermediate design, research phase, Results of demonstration trials available, Other,
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