Journal cover Journal topic
Atmospheric Chemistry and Physics An interactive open-access journal of the European Geosciences Union
Journal topic

Journal metrics

IF value: 5.414
IF5.414
IF 5-year value: 5.958
IF 5-year
5.958
CiteScore value: 9.7
CiteScore
9.7
SNIP value: 1.517
SNIP1.517
IPP value: 5.61
IPP5.61
SJR value: 2.601
SJR2.601
Scimago H <br class='widget-line-break'>index value: 191
Scimago H
index
191
h5-index value: 89
h5-index89
Volume 15, issue 15
Atmos. Chem. Phys., 15, 8795–8808, 2015
https://doi.org/10.5194/acp-15-8795-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.
Atmos. Chem. Phys., 15, 8795–8808, 2015
https://doi.org/10.5194/acp-15-8795-2015
© Author(s) 2015. This work is distributed under
the Creative Commons Attribution 3.0 License.

Research article 10 Aug 2015

Research article | 10 Aug 2015

A comparison of chemical mechanisms using tagged ozone production potential (TOPP) analysis

J. Coates and T. M. Butler J. Coates and T. M. Butler
  • Institute for Advanced Sustainability Studies, Potsdam, Germany

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.

Publications Copernicus
Download
Short summary
We show that simplified chemical mechanisms break down VOC into smaller sized degradation products on the first day faster than the near-explicit MCM chemical mechanism which would lead to an underprediction of ozone levels downwind of VOC emissions, and an underestimation of the VOC contribution to tropospheric background ozone when using simplified chemical mechanisms in regional or global modelling studies.
We show that simplified chemical mechanisms break down VOC into smaller sized degradation...
Citation
Final-revised paper
Preprint