a comparison of chemical mechanisms using tagged ozone production potential (topp) analysis
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2015
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Abstract
Ground-level ozone is a secondary pollutant produced photochemically
from reactions of NOx with peroxy radicals produced during
volatile organic compound (VOC) degradation. Chemical transport models use simplified
representations of this complex gas-phase chemistry to predict
O3 levels and inform emission control strategies. Accurate
representation of O3 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 O3 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 O3
produced on subsequent days due to secondary chemistry.
| Reference Key |
coates2015atmospherica
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|---|---|
| Authors | ;J. Coates;T. M. Butler |
| Journal | Journal of agricultural and food chemistry |
| Year | 2015 |
| DOI |
10.5194/acp-15-8795-2015
|
| URL | |
| Keywords |
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