Ground-level ozone is a secondary pollutant produced photochemically from reactions of NO x with peroxy radicals produced during volatile organic compound (VOC) degradation. Chemical transport models use simplified representations of this complex gas-phase chemistry to predict O 3 levels and inform emission control strategies. Accurate representation of O 3 production chemistry is vital for effective prediction. In this study, VOC degradation chemistry in simplified mechanisms is compared to that in the near-explicit Master Chemical Mechanism (MCM) using a box model and by "tagging" all organic degradation products over multi-day runs, thus calculating the tagged ozone production potential (TOPP) for a selection of VOCs representative of urban air masses. Simplified mechanisms that aggregate VOC degradation products instead of aggregating emitted VOCs produce comparable amounts of O 3 from VOC degradation to the MCM. First-day TOPP values are similar across mechanisms for most VOCs, with larger discrepancies arising over the course of the model run. Aromatic and unsaturated aliphatic VOCs have the largest inter-mechanism differences on the first day, while alkanes show largest differences on the second day. Simplified mechanisms break VOCs down into smaller-sized degradation products on the first day faster than the MCM, impacting the total amount of O 3 produced on subsequent days due to secondary chemistry.
CITATION STYLE
Coates, J., & Butler, T. M. (2015). A comparison of chemical mechanisms using tagged ozone production potential (TOPP) analysis. Atmospheric Chemistry and Physics, 15(15), 8795–8808. https://doi.org/10.5194/acp-15-8795-2015
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