Evaluation of two MCM v3.1 alkene mechanisms using indoor environmental chamber data

Abstract Photo-oxidation experiments on propene-NO x -air and 1-butene-NO x -air mixtures were performed in the CSIRO indoor environmental chamber. These data were used to test the alkene sub-mechanisms from the Master Chemical Mechanism version 3.1 (MCM v3.1). A comparison of measured and modelled propene-NO x data showed that the mechanisms required the inclusion of O( 3 P)+parent alkene reactions in order to adequately model the results over a wide range of VOC/NO x ratios. Sensitivity studies were performed on propene-NO x and 1-butene-NO x simulations to determine the effect of uncertainties in the chamber parameters and key photolysis rates on the O 3 , and NO x profiles. The low VOC/NO x propene simulations were sensitive to the formaldehyde (HCHO) photolysis channel that produces HO 2 radicals and to the presence of O( 3 P) reactions. For the higher VOC/NO x propene simulations, the O 3 , and NO x results were more sensitive to small changes in the initial HONO and NO 2 concentrations.

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