Sensitivity analysis of a chemical mechanism for aqueous-phase atmospheric chemistry

Abstract

The sensitivity analysis of a comprehensive chemical mechanism for aqueous-phase atmospheric chemistry is performed. The main aqueous-phase reaction pathways for the system are the oxidation of S(IV) by H₂O₂, OH, O₂ (catalyzed by Fe³⁺ and Mn²⁺), O₃ and HSO₅⁻. The HO₂ (aq) and OH(aq) radicals contribute indirectly to this process by producing and consuming H₂O₂ (aq), respectively. The dominant pathway for HNO₃(aq) acidity is scavenging of nitric acid from the gas phase. HCOOH is produced because of the reaction of HCHO(aq) with OH(aq). The gas-phase concentrations of SO₂, H₂O₂, HO₂, OH, O₃, HCHO, NH₃, HNO₃, and HCl are of primary importance. An increase in the liquid water content of the cloud results in a decrease of the sulfate concentration but an increase of the total sulfate amount in the aqueous phase. A condensed mechanism is derived from the analysis.

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