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Lagrangian model: chemical formulation

We give here a complete listing of the chemical mechanism used in the Lagrangian photo-oxidant model. Reaction coefficients are largely from [Atkinson(1990)] and [Atkinson et al.(1992)]. Isoprene chemistry is derived from [Paulson and Seinfeld(1992)]. Full details of the sources and methodology behind the reaction schemes are given in [Simpson et al.(1993)]. A number of extra HO2-RO2-ROOH were introduced to the chemistry in [Simpson(1995)] in order to render the isoprene treatment consistent with that of the other VOC species in the model.

This chemistry has been extensively tested against the comprehensive IVL chemistry in [Andersson-Sköld and Simpson(1997)], and against a number of other mechanisms in [Derwent(1990),Derwent(1993),Kuhn et al.(1998)].

David Simpson