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

R.G. Hynes, D.E. Angove, Sam Saunders, V. Haverd, M. Azzi

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31 Citations (Scopus)

Abstract

Photo-oxidation experiments oil propene-NOx-air and 1-butene-NOx-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, 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/NOx ratios. Sensitivity studies were performed oil propene-NOx and 1-butene-NOx simulations to determine the effect of uncertainties in the chamber parameters and key photolysis rates oil the O-3 and NOx profiles. The low VOC/NOx propene simulations were sensitive to the formaldehyde (HCHO) photolysis channel that produces HO2 radicals and to the presence of O(P-3) reactions. For the higher VOC/NOx propene simulations, the O-3, and NOx results were more sensitive to small changes in the initial HONO and NO2 concentrations. Crown Copyright (c) 2005 Published by Elsevier Ltd. All rights reserved.
Original languageEnglish
Pages (from-to)7251-7262
JournalAtmospheric Environment
Volume39
Issue number38
DOIs
Publication statusPublished - 2005

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