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A detailed α-pinene oxidation mechanism was reduced systematicallythrough the successive application of five mechanism reduction techniques.The resulting reduced mechanism preserves the ozone- and organicaerosol-forming properties of the original mechanism, while using lessspecies. The methodologies employed included a directed relation graphmethod with error propagation (DRGEP, which removed a large number ofredundant species and reactions), principal component analysis of the ratesensitivity matrix (PCA, used to remove unnecessary reactions), thequasi-steady-state approximation (QSSA, used to remove some QSS species), aniterative screening method (ISSA, which removes redundant species andreactions simultaneously), and a new lumping approach dependent on thehydrocarbon to NOx ratio (which reduced the number of species inmechanism subsets for specific hydrocarbon to NOx ranges). This multistage methodology results in a reduction ratio of 2.5 for thenumber of both species and reactions compared with the full mechanism. Thesimplified mechanism reproduces the important gas and aerosol phase species(the latter are examined in detail by individual condensing species as wellas in classes according to four functional groups: PANs, nitrates, organicperoxides, and organic acids). The total SOA mass is also well representedin the condensed mechanism, to within 16% of the detailed mechanism undera wide range of conditions. The methodology described here is general, andmay be used in general mechanism reduction problems

atmospheric chemistry and physics

Mechanism reduction for the formation of secondary organic aerosol for integration into a 3-dimensional regional air quality model: &amp;lt;i&amp;gt;α&amp;lt;/i&amp;gt;-pinene oxidation system