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Improvement in Modeling of OH and HO2 Radical Concentrations during Toluene and Xylene Oxidation with RACM2 Using MCM/GECKO-A

1
CEREA, Joint Laboratory École des Ponts ParisTech and EdF R&D, 77455 Marne-la-Vallée, France
2
Aix-Marseille University, CNRS, LCE, 13007 Marseille, France
3
National Institute for Industrial Environment and Risks (INERIS), 60550 Verneuil-en-Halatte, France
4
Univ Paris Est Creteil and Université de Paris, CNRS, LISA, 94010 Créteil, France
*
Author to whom correspondence should be addressed.
Academic Editors: Jordan G. Powers and Dominikus Heinzeller
Atmosphere 2021, 12(6), 732; https://doi.org/10.3390/atmos12060732
Received: 30 April 2021 / Revised: 1 June 2021 / Accepted: 4 June 2021 / Published: 8 June 2021
Due to their major role in atmospheric chemistry and secondary pollutant formation such as ozone or secondary organic aerosols, an accurate representation of OH and HO2 (HOX) radicals in air quality models is essential. Air quality models use simplified mechanisms to represent atmospheric chemistry and interactions between HOX and organic compounds. In this work, HOX concentrations during the oxidation of toluene and xylene within the Regional Atmospheric Chemistry Mechanism (RACM2) are improved using a deterministic–near-explicit mechanism based on the Master Chemical Mechanism (MCM) and the generator of explicit chemistry and kinetics of organics in the atmosphere (GECKO-A). Flow tube toluene oxidation experiments are first simulated with RACM2 and MCM/GECKO-A. RACM2, which is a simplified mechanism, is then modified to better reproduce the HOX concentration evolution simulated by MCM/GECKO-A. In total, 12 reactions of the oxidation mechanism of toluene and xylene are updated, making OH simulated by RACM2 up to 70% more comparable to the comprehensive MCM/GECKO-A model for chamber oxidation simulations. View Full-Text
Keywords: hydroxy radical; atmospheric chemistry; air quality modeling; toluene and xylene oxidation; RACM2 hydroxy radical; atmospheric chemistry; air quality modeling; toluene and xylene oxidation; RACM2
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MDPI and ACS Style

Lannuque, V.; D’Anna, B.; Couvidat, F.; Valorso, R.; Sartelet, K. Improvement in Modeling of OH and HO2 Radical Concentrations during Toluene and Xylene Oxidation with RACM2 Using MCM/GECKO-A. Atmosphere 2021, 12, 732. https://doi.org/10.3390/atmos12060732

AMA Style

Lannuque V, D’Anna B, Couvidat F, Valorso R, Sartelet K. Improvement in Modeling of OH and HO2 Radical Concentrations during Toluene and Xylene Oxidation with RACM2 Using MCM/GECKO-A. Atmosphere. 2021; 12(6):732. https://doi.org/10.3390/atmos12060732

Chicago/Turabian Style

Lannuque, Victor, Barbara D’Anna, Florian Couvidat, Richard Valorso, and Karine Sartelet. 2021. "Improvement in Modeling of OH and HO2 Radical Concentrations during Toluene and Xylene Oxidation with RACM2 Using MCM/GECKO-A" Atmosphere 12, no. 6: 732. https://doi.org/10.3390/atmos12060732

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