Articles | Volume 26, issue 20
https://doi.org/10.5194/acp-26-14749-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-26-14749-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
20 Oct 2026
Research article |
| 20 Oct 2026
| 20 Oct 2026
Molecular representation of benzene and phenol secondary organic aerosols
Aurélien Le Bayon
CORRESPONDING AUTHOR
CEREA, Ecole nationale des ponts et chaussées, EDF R&D, Institut Polytechnique de Paris, IPSL, 77455 Marne-la-vallée, France
Aliisa Ojala
Aerosol Physics Laboratory, Tampere University, 33720 Tampere, Finland
Aerosol Physics Laboratory, Tampere University, 33720 Tampere, Finland
Zhizhao Wang
College of Engineering Center for Environmental Research and Technology (CE-CERT), University of California, Riverside, CA 92521, USA
Victor Lannuque
Institut National de l'Environnement Industriel et des Risques, 60550 Verneuil-en-Halatte, France
Florian Couvidat
Institut National de l'Environnement Industriel et des Risques, 60550 Verneuil-en-Halatte, France
Raluca Ciuraru
ECOSYS, University Paris-Saclay, INRAE, AgroParisTech, 91120 Palaiseau, France
CEREA, Ecole nationale des ponts et chaussées, EDF R&D, Institut Polytechnique de Paris, IPSL, 77455 Marne-la-vallée, France
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Jiali Shen, Yaowei Li, Jiangyi Zhang, Zhaojin An, Putian Zhou, Henning Finkenzeller, Paxton Juuti, Jyri Mikkila, Netta Vinkvist, Siddharth Iyer, Juha Kangasluoma, Tuukka Petäjä, Matti Rissanen, Aleksei Shcherbinin, Frank N. Keutsch, and Xu-Cheng He
EGUsphere, https://doi.org/10.5194/egusphere-2026-5947, https://doi.org/10.5194/egusphere-2026-5947, 2026
This preprint is open for discussion and under review for Atmospheric Measurement Techniques (AMT).
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Gases emitted by trees, such as isoprene, form molecules high in the atmosphere that help create new particles, but this chemistry is hard to measure and interpret. We developed a framework that combines an optimised Orbitrap mass spectrometer, which identifies molecules from their precise mass, with a computer model that separates true chemistry from reactor effects. Tested on isoprene, it revealed missing products and the role of light, offering a transferable tool for studying other gases.
Florian Couvidat, Antoine Guion, Victor Lannuque, Palmira Messina, Elsa Real, Gaël Descombes, Pauline Buysse, Augustin Colette, and Raia Silvia Massad
EGUsphere, https://doi.org/10.5194/egusphere-2026-4644, https://doi.org/10.5194/egusphere-2026-4644, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
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This study investigates weather-driven trends in atmospheric emissions and air quality across Europe over 1990–2022 using an enhanced version of the CHIMERE chemistry-transport model. Simulations reveal significant increases in biogenic VOC, ammonia, and soil NOx emissions, while ozone exhibits contrasting regional responses, increasing in southern Europe but decreasing in northern regions due to enhanced vegetation-driven deposition. Trends are also analyzed for NO2, particles and deposition.
Pauline Buysse, Florence Lafouge, Raluca Ciuraru, Brigitte Durand, Olivier Zurfluh, Céline Décuq, Olivier Fanucci, Lais Gonzaga Gomez, Jean-Christophe Gueudet, Sandy Bsaibes, Nora Zannoni, Valérie Gros, and Benjamin Loubet
Atmos. Chem. Phys., 26, 12131–12150, https://doi.org/10.5194/acp-26-12131-2026, https://doi.org/10.5194/acp-26-12131-2026, 2026
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This research aimed at quantifying biogenic volatile organic compounds (BVOCs) emissions by a rapeseed crop field. Such compounds are precursors of atmospheric pollutants. Our study revealed that methanol, a BVOC that is not very reactive in the atmosphere, is by far the most emitted BVOC, while monoterpenes, being highly reactive, were emitted in larger quantities than expected. Our study therefore points out the potentially more significant contribution of croplands to atmospheric pollution.
Julia Lee-Taylor, William P. L. Carter, Bernard Aumont, John J. Orlando, Zhizhao Wang, Marie Camredon, Richard Valorso, and Kelley C. Barsanti
EGUsphere, https://doi.org/10.5194/egusphere-2026-4908, https://doi.org/10.5194/egusphere-2026-4908, 2026
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Air quality models require representation of gas-phase compounds and their products. While these model mechanisms are typically small, one compound can form millions of products. Small mechanisms can be derived by hand, but generation of complete mechanisms must be automated. The two most common automated generators for atmospheric chemical mechanisms are compared here for the first time. The comparison highlights underlying differences and implications for predictions of atmospheric chemistry.
Rabbia Asgher, Sakshi Jha, Avinash Kumar, Shawon Barua, Prasenjit Seal, Sana Farhoudian, Siddharth Iyer, and Matti Rissanen
EGUsphere, https://doi.org/10.5194/egusphere-2026-4450, https://doi.org/10.5194/egusphere-2026-4450, 2026
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Furans and substituted furans released by biomass burning react rapidly with ozone and hydroxyl (OH) radicals in the atmosphere. Our laboratory experiments on 2,5-dimethylfuran show that these reactions produce low-volatility, highly oxygenated organic molecules within a fraction of a second through autoxidation. Quantum chemical calculations elucidate the rapid oxidation pathways leading to the formation of these low-volatility vapors that can contribute to atmospheric particle formation.
Zhizhao Wang, William P. L. Carter, Julia Lee-Taylor, John Orlando, Qing Ye, Richard Valorso, Marie Camredon, Bernard Aumont, and Kelley Barsanti
EGUsphere, https://doi.org/10.5194/egusphere-2026-1921, https://doi.org/10.5194/egusphere-2026-1921, 2026
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Comprehensive chemical mechanisms that describe how pollutants react in the atmosphere can include millions of reactions and are too complex for practical models. This study presents a framework that can reduce them to tens or hundreds of reactions while preserving key behavior and accuracy. This enables the use of detailed chemistry in large simulations, improving studies of air quality and how atmospheric processes are represented in models.
Shawon Barua, Avinash Kumar, Prasenjit Seal, Siddharth Iyer, and Matti Rissanen
Atmos. Chem. Phys., 26, 4711–4725, https://doi.org/10.5194/acp-26-4711-2026, https://doi.org/10.5194/acp-26-4711-2026, 2026
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This work illustrates how long chain linear aldehydes have the potential to undergo atmospheric autoxidation and lead to prompt formation of condensable material which subsequently contributes to aerosol formation, deteriorating the air quality of urban atmospheres. We performed laboratory experiments using state-of-the-art mass spectrometry technique combined with a flow reactor under atmospheric conditions to resolve the autoxidation mechanism of n-aldehydes initiated by a common oxidant.
Karine Sartelet, Zhizhao Wang, Youngseob Kim, Victor Lannuque, and Florian Couvidat
Geosci. Model Dev., 19, 389–421, https://doi.org/10.5194/gmd-19-389-2026, https://doi.org/10.5194/gmd-19-389-2026, 2026
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The model simulates the evolution of primary and secondary pollutants via gas-phase chemistry, aerosol dynamics (including ultrafine particles), and intra-particle reactions. It uses a sectional approach for size and composition, includes a wall-loss module, and links gas-phase mechanisms of different complexity to secondary organic aerosol formation. Representation of particle phase composition allows viscosity and non-ideality to be taken into account.
Phil Rund, Ben H. Lee, Siddharth Iyer, Gordon A. Novak, Jake T. Vallow, and Joel A. Thornton
Atmos. Meas. Tech., 18, 6979–6995, https://doi.org/10.5194/amt-18-6979-2025, https://doi.org/10.5194/amt-18-6979-2025, 2025
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We introduce a custom-built chamber (known as an IMR) for use with a Chemical Ionization Mass Spectrometry (CIMS) gas measurement instrument. The IMR shows large improvements compared to previous designs in reducing non-real signal in the instrument, reducing uncertainties for trace gas studies in the laboratory and the field. We characterize this new IMR and demonstrate its use in analyzing air masses of unknown composition during a field campaign, reporting concentrations of important gases.
Daphné Ladet, Yelva Roustan, Karine Sartelet, and Olivier Duclaux
EGUsphere, https://doi.org/10.5194/egusphere-2025-4472, https://doi.org/10.5194/egusphere-2025-4472, 2025
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Amines used as solvents for CO2 capture can lead to the formation of secondary pollutants once they enter the atmosphere. We studied the degradation of 2-amino-2-methyl-1-propanol to understand the processes that can lead to the formation of secondary particles. Relying on an atmospheric chamber experiment, we developed a model with low-volatility compounds and reproduce the results with nucleation and condensation processes.
William P. L. Carter, Jia Jiang, Zhizhao Wang, and Kelley C. Barsanti
Geosci. Model Dev., 18, 8461–8483, https://doi.org/10.5194/gmd-18-8461-2025, https://doi.org/10.5194/gmd-18-8461-2025, 2025
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The SAPRC Atmospheric Chemical Mechanism Generation System (MechGen) generates explicit chemical reaction mechanisms for organic compounds. MechGen has been used for decades in the development of the widely used SAPRC mechanisms. This paper, detailing the software system, and a companion paper, detailing the chemical basis, represent the first complete documentation of MechGen. This paper includes examples and instructions for generating explicit and reduced mechanisms.
Marc Guevara, Augustin Colette, Antoine Guion, Valentin Petiot, Mario Adani, Joaquim Arteta, Anna Benedictow, Robert Bergström, Andrea Bolignano, Paula Camps, Ana C. Carvalho, Jesper Heile Christensen, Florian Couvidat, Ilaria D'Elia, Hugo Denier van der Gon, Gaël Descombes, John Douros, Hilde Fagerli, Yalda Fatahi, Elmar Friese, Lise Frohn, Michael Gauss, Camilla Geels, Risto Hänninen, Kaj Hansen, Oriol Jorba, Jacek W. Kaminski, Rostislav Kouznetsov, Richard Kranenburg, Jeroen Kuenen, Victor Lannuque, Frédérik Meleux, Agnes Nyíri, Yuliia Palamarchuk, Carlos Pérez García-Pando, Lennard Robertson, Felicita Russo, Arjo Segers, Mikhail Sofiev, Joanna Struzewska, Renske Timmermans, Andreas Uppstu, Alvaro Valdebenito, and Zhuyun Ye
Atmos. Chem. Phys., 25, 13245–13278, https://doi.org/10.5194/acp-25-13245-2025, https://doi.org/10.5194/acp-25-13245-2025, 2025
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Air quality models require hourly emissions to accurately represent dispersion and physico-chemical processes in the atmosphere. Since emission inventories are typically provided at the annual level, emissions are downscaled to a refined temporal resolution using temporal profiles. This study quantifies the impact of using new anthropogenic temporal profiles on the performance of an European air quality multi-model ensemble. Overall, the findings indicate an improvement of the modelling results.
Augustin Colette, Gaëlle Collin, François Besson, Etienne Blot, Vincent Guidard, Frédérik Meleux, Adrien Royer, Valentin Petiot, Claire Miller, Oihana Fermond, Alizé Jeant, Mario Adani, Joaquim Arteta, Anna Benedictow, Robert Bergström, Dene Bowdalo, Jorgen Brandt, Gino Briganti, Ana C. Carvalho, Jesper Heile Christensen, Florian Couvidat, Ilaria D'Elia, Massimo D'Isidoro, Hugo Denier van der Gon, Gaël Descombes, Enza Di Tomaso, John Douros, Jeronimo Escribano, Henk Eskes, Hilde Fagerli, Yalda Fatahi, Johannes Flemming, Elmar Friese, Lise Frohn, Michael Gauss, Camilla Geels, Guido Guarnieri, Marc Guevara, Antoine Guion, Jonathan Guth, Risto Hänninen, Kaj Hansen, Ulas Im, Ruud Janssen, Marine Jeoffrion, Mathieu Joly, Luke Jones, Oriol Jorba, Evgeni Kadantsev, Michael Kahnert, Jacek W. Kaminski, Rostislav Kouznetsov, Richard Kranenburg, Jeroen Kuenen, Anne Caroline Lange, Joachim Langner, Victor Lannuque, Francesca Macchia, Astrid Manders, Mihaela Mircea, Agnes Nyiri, Miriam Olid, Carlos Pérez García-Pando, Yuliia Palamarchuk, Antonio Piersanti, Blandine Raux, Miha Razinger, Lennard Robertson, Arjo Segers, Martijn Schaap, Pilvi Siljamo, David Simpson, Mikhail Sofiev, Anders Stangel, Joanna Struzewska, Carles Tena, Renske Timmermans, Thanos Tsikerdekis, Svetlana Tsyro, Svyatoslav Tyuryakov, Anthony Ung, Andreas Uppstu, Alvaro Valdebenito, Peter van Velthoven, Lina Vitali, Zhuyun Ye, Vincent-Henri Peuch, and Laurence Rouïl
Geosci. Model Dev., 18, 6835–6883, https://doi.org/10.5194/gmd-18-6835-2025, https://doi.org/10.5194/gmd-18-6835-2025, 2025
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The Copernicus Atmosphere Monitoring Service – Regional Production delivers daily forecasts, analyses, and reanalyses of air quality in Europe. The service relies on a distributed modelling production by 11 leading European modelling teams following stringent requirements with an operational design that has no equivalent in the world. All the products are free, open, and quality-assured and disseminated with a high level of reliability.
Hanrui Lang, Yunjiang Zhang, Sheng Zhong, Yongcai Rao, Minfeng Zhou, Jian Qiu, Jingyi Li, Diwen Liu, Florian Couvidat, Olivier Favez, Didier Hauglustaine, and Xinlei Ge
Atmos. Chem. Phys., 25, 10587–10601, https://doi.org/10.5194/acp-25-10587-2025, https://doi.org/10.5194/acp-25-10587-2025, 2025
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This study investigates how dust pollution influences particulate nitrate formation. We found that dust pollution could reduce the effectiveness of ammonia emission controls by altering aerosol chemistry. Using field observations and modeling, we showed that dust particles affect nitrate distribution between gas and particle phases. Our findings highlight the need for pollution control strategies that consider both human emissions and dust sources for better urban air quality management.
Oscar Jacquot and Karine Sartelet
Geosci. Model Dev., 18, 3965–3984, https://doi.org/10.5194/gmd-18-3965-2025, https://doi.org/10.5194/gmd-18-3965-2025, 2025
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Modelling the size distribution and the number concentration is important to represent ultrafine particles. A new analytic formulation is presented to compute coagulation partition coefficients, allowing us to lower the numerical diffusion associated with the resolution of aerosol dynamics. The significance of this effect is assessed in a 0D box model and over greater Paris with a chemistry transport model, using different size resolutions of the particle distribution.
Dominika Pasik, Thomas Golin Almeida, Emelda Ahongshangbam, Siddharth Iyer, and Nanna Myllys
Atmos. Chem. Phys., 25, 4313–4331, https://doi.org/10.5194/acp-25-4313-2025, https://doi.org/10.5194/acp-25-4313-2025, 2025
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We used quantum chemistry methods to investigate the oxidation mechanisms of acyl peroxy radicals (APRs) with various monoterpenes. Our findings reveal unique oxidation pathways for different monoterpenes, leading to either chain-terminating products or highly reactive intermediates that can contribute to particle formation in the atmosphere. This research highlights APRs as potentially significant but underexplored atmospheric oxidants that may influence future approaches to modelling climate.
Soo-Jin Park, Lya Lugon, Oscar Jacquot, Youngseob Kim, Alexia Baudic, Barbara D'Anna, Ludovico Di Antonio, Claudia Di Biagio, Fabrice Dugay, Olivier Favez, Véronique Ghersi, Aline Gratien, Julien Kammer, Jean-Eudes Petit, Olivier Sanchez, Myrto Valari, Jérémy Vigneron, and Karine Sartelet
Atmos. Chem. Phys., 25, 3363–3387, https://doi.org/10.5194/acp-25-3363-2025, https://doi.org/10.5194/acp-25-3363-2025, 2025
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To accurately represent the population exposure to outdoor concentrations of pollutants of interest to health (NO2, PM2.5, black carbon, and ultrafine particles), multi-scale modelling down to the street scale is set up and evaluated using measurements from field campaigns. An exposure scaling factor is defined, allowing regional-scale simulations to be corrected to evaluate population exposure. Urban heterogeneities strongly influence NO2, black carbon, and ultrafine particles but less strongly PM2.5.
Antoine Guion, Florian Couvidat, Marc Guevara, and Augustin Colette
Atmos. Chem. Phys., 25, 2807–2827, https://doi.org/10.5194/acp-25-2807-2025, https://doi.org/10.5194/acp-25-2807-2025, 2025
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The residential sector can cause high background levels of pollutants and pollution peaks in winter. Its emissions are dominated by space heating and show strong daily variations linked to changes in outside temperature. Using heating degree days, we provide country- and species-dependent parameters for the distribution of these emissions, improving the performance of the CHIMERE air quality model. This also allows annual residential emissions to be projected before official publications.
Alexis Squarcioni, Yelva Roustan, Myrto Valari, Youngseob Kim, Karine Sartelet, Lya Lugon, Fabrice Dugay, and Robin Voitot
Atmos. Chem. Phys., 25, 93–117, https://doi.org/10.5194/acp-25-93-2025, https://doi.org/10.5194/acp-25-93-2025, 2025
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This study highlights the interest of using a street-network model to estimate pollutant concentrations of NOx, NO2, and PM2.5 in heterogeneous urban areas, particularly those adjacent to highways, compared with the subgrid-scale approach embedded in the 3D Eulerian model CHIMERE. However, the study also reveals comparable performances between the two approaches for the aforementioned pollutants in areas near the city center, where urban characteristics are more uniform.
Hasna Chebaicheb, Joel F. de Brito, Tanguy Amodeo, Florian Couvidat, Jean-Eudes Petit, Emmanuel Tison, Gregory Abbou, Alexia Baudic, Mélodie Chatain, Benjamin Chazeau, Nicolas Marchand, Raphaële Falhun, Florie Francony, Cyril Ratier, Didier Grenier, Romain Vidaud, Shouwen Zhang, Gregory Gille, Laurent Meunier, Caroline Marchand, Véronique Riffault, and Olivier Favez
Earth Syst. Sci. Data, 16, 5089–5109, https://doi.org/10.5194/essd-16-5089-2024, https://doi.org/10.5194/essd-16-5089-2024, 2024
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Long-term (2015–2021) quasi-continuous measurements have been obtained at 13 French urban sites using online mass spectrometry, to acquire the comprehensive chemical composition of submicron particulate matter. The results show their spatial and temporal differences and confirm the predominance of organics in France (40–60 %). These measurements can be used for many future studies, such as trend and epidemiological analyses, or comparisons with chemical transport models.
Matthieu Vida, Gilles Foret, Guillaume Siour, Florian Couvidat, Olivier Favez, Gaelle Uzu, Arineh Cholakian, Sébastien Conil, Matthias Beekmann, and Jean-Luc Jaffrezo
Atmos. Chem. Phys., 24, 10601–10615, https://doi.org/10.5194/acp-24-10601-2024, https://doi.org/10.5194/acp-24-10601-2024, 2024
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We simulate 2 years of atmospheric fungal spores over France and use observations of polyols and primary biogenic factors from positive matrix factorisation. The representation of emissions taking into account a proxy for vegetation surface and specific humidity enables us to reproduce very accurately the seasonal cycle of fungal spores. Furthermore, we estimate that fungal spores can account for 20 % of PM10 and 40 % of the organic fraction of PM10 over vegetated areas in summer.
Vignesh Vasudevan-Geetha, Lee Tiszenkel, Zhizhao Wang, Robin Russo, Daniel Bryant, Julia Lee-Taylor, Kelley Barsanti, and Shan-Hu Lee
EGUsphere, https://doi.org/10.5194/egusphere-2024-2454, https://doi.org/10.5194/egusphere-2024-2454, 2024
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Our laboratory experiments using two high-resolution mass spectrometers show that these OOMs can also form within the particle phase, in addition to gas-to-particle conversion processes. Our results demonstrate that particle-phase formation processes can contribute to the formation and growth of new particles in biogenic environments.
Victor Lannuque and Karine Sartelet
Atmos. Chem. Phys., 24, 8589–8606, https://doi.org/10.5194/acp-24-8589-2024, https://doi.org/10.5194/acp-24-8589-2024, 2024
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Large uncertainties remain in understanding secondary organic aerosol (SOA) formation and speciation from naphthalene oxidation. This study details the development of the first near-explicit chemical scheme for naphthalene oxidation by OH, which includes kinetic and mechanistic data, and is able to reproduce most of the experimentally identified products in both gas and particle phases.
Alice Maison, Lya Lugon, Soo-Jin Park, Alexia Baudic, Christopher Cantrell, Florian Couvidat, Barbara D'Anna, Claudia Di Biagio, Aline Gratien, Valérie Gros, Carmen Kalalian, Julien Kammer, Vincent Michoud, Jean-Eudes Petit, Marwa Shahin, Leila Simon, Myrto Valari, Jérémy Vigneron, Andrée Tuzet, and Karine Sartelet
Atmos. Chem. Phys., 24, 6011–6046, https://doi.org/10.5194/acp-24-6011-2024, https://doi.org/10.5194/acp-24-6011-2024, 2024
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This study presents the development of a bottom-up inventory of urban tree biogenic emissions. Emissions are computed for each tree based on their location and characteristics and are integrated in the regional air quality model WRF-CHIMERE. The impact of these biogenic emissions on air quality is quantified for June–July 2022. Over Paris city, urban trees increase the concentrations of particulate organic matter by 4.6 %, of PM2.5 by 0.6 %, and of ozone by 1.0 % on average over 2 months.
Romain Salignat, Matti Rissanen, Siddharth Iyer, Jean-Luc Baray, Pierre Tulet, Jean-Marc Metzger, Jérôme Brioude, Karine Sellegri, and Clémence Rose
Atmos. Chem. Phys., 24, 3785–3812, https://doi.org/10.5194/acp-24-3785-2024, https://doi.org/10.5194/acp-24-3785-2024, 2024
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Using mass spectrometry data collected at the Maïdo Observatory (2160 m a.s.l., Réunion), we provide the first detailed analysis of molecular cluster chemical composition specifically in the marine free troposphere. The abundance of the identified species is related both to in situ meteorological parameters and air mass history, which also provide insight into their origin. Our work makes an important contribution to documenting the chemistry and physics of the marine free troposphere.
Yang Liu, Raluca Ciuraru, Letizia Abis, Crist Amelynck, Pauline Buysse, Alex Guenther, Bernard Heinesch, Florence Lafouge, Florent Levavasseur, Benjamin Loubet, Auriane Voyard, and Raia-Silvia Massad
EGUsphere, https://doi.org/10.5194/egusphere-2024-530, https://doi.org/10.5194/egusphere-2024-530, 2024
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This paper reviews the emission and emission processes of biogenic volatile organic compounds (BVOCs) from various crops and soil under different management practices, highlighting challenges in modeling the emissions and proposing a conceptual model for estimation. The aim of this paper is to present agricultural BVOC data and related mechanistic processes to enhance model accuracy and reduce uncertainties in estimating BVOC emissions from agriculture.
Evangelia Kostenidou, Baptiste Marques, Brice Temime-Roussel, Yao Liu, Boris Vansevenant, Karine Sartelet, and Barbara D'Anna
Atmos. Chem. Phys., 24, 2705–2729, https://doi.org/10.5194/acp-24-2705-2024, https://doi.org/10.5194/acp-24-2705-2024, 2024
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Secondary organic aerosol (SOA) from gasoline vehicles can be a significant source of particulate matter in urban areas. Here the chemical composition of secondary volatile organic compounds and SOA produced by photo-oxidation of Euro 5 gasoline vehicle emissions was studied. The volatility of the SOA formed was calculated. Except for the temperature and the concentration of the aerosol, additional parameters may play a role in the gas-to-particle partitioning.
Pauline Buysse, Benjamin Loubet, Raluca Ciuraru, Florence Lafouge, Brigitte Durand, Olivier Zurfluh, Céline Décuq, Olivier Fanucci, Lais Gonzaga Gomez, Jean-Christophe Gueudet, Sandy Bsaibes, Nora Zannoni, and Valérie Gros
EGUsphere, https://doi.org/10.5194/egusphere-2023-2438, https://doi.org/10.5194/egusphere-2023-2438, 2024
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This research aimed at quantifying biogenic volatile organic compounds (BVOCs) emissions by a rapeseed crop field. Such compounds are precursors of atmospheric pollutants. Our study revealed that methanol, a BVOC that is not very reactive in the atmosphere, is by far the most emitted BVOC, while monoterpenes, being highly reactive, were emitted in larger quantities than expected. Our study therefore points out the potentially more significant contribution of croplands to atmospheric pollution.
Victor Lannuque, Barbara D'Anna, Evangelia Kostenidou, Florian Couvidat, Alvaro Martinez-Valiente, Philipp Eichler, Armin Wisthaler, Markus Müller, Brice Temime-Roussel, Richard Valorso, and Karine Sartelet
Atmos. Chem. Phys., 23, 15537–15560, https://doi.org/10.5194/acp-23-15537-2023, https://doi.org/10.5194/acp-23-15537-2023, 2023
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Large uncertainties remain in understanding secondary organic aerosol (SOA) formation from toluene oxidation. In this study, speciation measurements in gaseous and particulate phases were carried out, providing partitioning and volatility data on individual toluene SOA components at different temperatures. A new detailed oxidation mechanism was developed to improve modeled speciation, and effects of different processes involved in gas–particle partitioning at the molecular scale are explored.
Xu-Cheng He, Jiali Shen, Siddharth Iyer, Paxton Juuti, Jiangyi Zhang, Mrisha Koirala, Mikko M. Kytökari, Douglas R. Worsnop, Matti Rissanen, Markku Kulmala, Norbert M. Maier, Jyri Mikkilä, Mikko Sipilä, and Juha Kangasluoma
Atmos. Meas. Tech., 16, 4461–4487, https://doi.org/10.5194/amt-16-4461-2023, https://doi.org/10.5194/amt-16-4461-2023, 2023
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In this study, the upgraded multi-scheme chemical ionisation inlet 2 is presented. Sulfuric acid, hypoiodous acid, iodine, sulfur dioxide, and hydroperoxyl radicals are calibrated, and the improved ion optics allow us to detect sulfuric acid and iodine-containing molecules at as low as a few parts per quadrillion by volume. Additionally, we confirm the reliable detection of iodic acid using both the nitrate and bromide chemical ionisation methods under atmospherically relevant conditions.
Shawon Barua, Siddharth Iyer, Avinash Kumar, Prasenjit Seal, and Matti Rissanen
Atmos. Chem. Phys., 23, 10517–10532, https://doi.org/10.5194/acp-23-10517-2023, https://doi.org/10.5194/acp-23-10517-2023, 2023
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This work illustrates how a common volatile hydrocarbon, hexanal, has the potential to undergo atmospheric autoxidation that leads to prompt formation of condensable material that subsequently contributes to aerosol formation, deteriorating the air quality of urban atmospheres. We used the combined state-of-the-art quantum chemical modeling and experimental flow reactor experiments under atmospheric conditions to resolve the autoxidation mechanism of hexanal initiated by a common oxidant.
Thibaud Sarica, Alice Maison, Yelva Roustan, Matthias Ketzel, Steen Solvang Jensen, Youngseob Kim, Christophe Chaillou, and Karine Sartelet
Geosci. Model Dev., 16, 5281–5303, https://doi.org/10.5194/gmd-16-5281-2023, https://doi.org/10.5194/gmd-16-5281-2023, 2023
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A new version of the Model of Urban Network of Intersecting Canyons and Highways (MUNICH) is developed to represent heterogeneities of concentrations in streets. The street volume is discretized vertically and horizontally to limit the artificial dilution of emissions and concentrations. This new version is applied to street networks in Copenhagen and Paris. The comparisons to observations are improved, with higher concentrations of pollutants emitted by traffic at the bottom of the street.
Rémy Lapere, Nicolás Huneeus, Sylvain Mailler, Laurent Menut, and Florian Couvidat
Atmos. Chem. Phys., 23, 1749–1768, https://doi.org/10.5194/acp-23-1749-2023, https://doi.org/10.5194/acp-23-1749-2023, 2023
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Glaciers in the Andes of central Chile are shrinking rapidly in response to global warming. This melting is accelerated by the deposition of opaque particles onto snow and ice. In this work, model simulations quantify typical deposition rates of soot on glaciers in summer and winter months and show that the contribution of emissions from Santiago is not as high as anticipated. Additionally, the combination of regional- and local-scale meteorology explains the seasonality in deposition.
Chao Lin, Yunyi Wang, Ryozo Ooka, Cédric Flageul, Youngseob Kim, Hideki Kikumoto, Zhizhao Wang, and Karine Sartelet
Atmos. Chem. Phys., 23, 1421–1436, https://doi.org/10.5194/acp-23-1421-2023, https://doi.org/10.5194/acp-23-1421-2023, 2023
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In this study, SSH-aerosol, a modular box model that simulates the evolution of gas, primary, and secondary aerosols, is coupled with the computational fluid dynamics (CFD) software, OpenFOAM and Code_Saturne. The transient dispersion of pollutants emitted from traffic in a street canyon of Greater Paris is simulated. The coupled model achieved better agreement in NO2 and PM10 with measurement data than the conventional CFD simulation which regards pollutants as passive scalars.
Zhizhao Wang, Florian Couvidat, and Karine Sartelet
Geosci. Model Dev., 15, 8957–8982, https://doi.org/10.5194/gmd-15-8957-2022, https://doi.org/10.5194/gmd-15-8957-2022, 2022
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Air quality models need to reliably predict secondary organic aerosols (SOAs) at a reasonable computational cost. Thus, we developed GENOA v1.0, a mechanism reduction algorithm that preserves the accuracy of detailed gas-phase chemical mechanisms for SOA formation, thereby improving the practical use of actual chemistry in SOA models. With GENOA, a near-explicit chemical scheme was reduced to 2 % of its original size and computational time, with an average error of less than 3 %.
Youngseob Kim, Lya Lugon, Alice Maison, Thibaud Sarica, Yelva Roustan, Myrto Valari, Yang Zhang, Michel André, and Karine Sartelet
Geosci. Model Dev., 15, 7371–7396, https://doi.org/10.5194/gmd-15-7371-2022, https://doi.org/10.5194/gmd-15-7371-2022, 2022
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This paper presents the latest version of the street-network model MUNICH, v2.0. The description of MUNICH v1.0, which models gas-phase pollutants in a street network, was published in GMD in 2018. Since then, major modifications have been made to MUNICH. The comprehensive aerosol model SSH-aerosol is now coupled to MUNICH to simulate primary and secondary aerosol concentrations. New parameterisations have also been introduced. Test cases are defined to illustrate the new model functionalities.
Alice Maison, Cédric Flageul, Bertrand Carissimo, Yunyi Wang, Andrée Tuzet, and Karine Sartelet
Atmos. Chem. Phys., 22, 9369–9388, https://doi.org/10.5194/acp-22-9369-2022, https://doi.org/10.5194/acp-22-9369-2022, 2022
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This paper presents a parameterization of the tree crown effect on air flow and pollutant dispersion in a street network model used to simulate air quality at the street level. The new parameterization is built using a finer-scale model (computational fluid dynamics). The tree effect increases with the leaf area index and the crown volume fraction of the trees; the street horizontal velocity is reduced by up to 68 % and the vertical transfer into or out of the street by up to 23 %.
Karine Sartelet, Youngseob Kim, Florian Couvidat, Maik Merkel, Tuukka Petäjä, Jean Sciare, and Alfred Wiedensohler
Atmos. Chem. Phys., 22, 8579–8596, https://doi.org/10.5194/acp-22-8579-2022, https://doi.org/10.5194/acp-22-8579-2022, 2022
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A methodology is defined to estimate number emissions from an inventory providing mass emissions. Number concentrations are simulated over Greater Paris using different nucleation parameterisations (binary, ternary involving sulfuric acid and ammonia, and heteromolecular involving sulfuric acid and extremely low-volatility organics, ELVOCs). The comparisons show that ternary nucleation may not be a dominant process for new particle formation in cities, but they stress the role of ELVOCs.
Svetlana Tsyro, Wenche Aas, Augustin Colette, Camilla Andersson, Bertrand Bessagnet, Giancarlo Ciarelli, Florian Couvidat, Kees Cuvelier, Astrid Manders, Kathleen Mar, Mihaela Mircea, Noelia Otero, Maria-Teresa Pay, Valentin Raffort, Yelva Roustan, Mark R. Theobald, Marta G. Vivanco, Hilde Fagerli, Peter Wind, Gino Briganti, Andrea Cappelletti, Massimo D'Isidoro, and Mario Adani
Atmos. Chem. Phys., 22, 7207–7257, https://doi.org/10.5194/acp-22-7207-2022, https://doi.org/10.5194/acp-22-7207-2022, 2022
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Particulate matter (PM) air pollution causes adverse health effects. In Europe, the emissions caused by anthropogenic activities have been reduced in the last decades. To assess the efficiency of emission reductions in improving air quality, we have studied the evolution of PM pollution in Europe. Simulations with six air quality models and observational data indicate a decrease in PM concentrations by 10 % to 30 % across Europe from 2000 to 2010, which is mainly a result of emission reductions.
Elsa Real, Florian Couvidat, Anthony Ung, Laure Malherbe, Blandine Raux, Alicia Gressent, and Augustin Colette
Earth Syst. Sci. Data, 14, 2419–2443, https://doi.org/10.5194/essd-14-2419-2022, https://doi.org/10.5194/essd-14-2419-2022, 2022
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This paper describes a 16-year (2000–2015) dataset of air pollution concentrations and air quality indicators over France combining background measurements and modeling. Hourly concentrations and regulatory indicators of NO2, O3, PM10 and PM2.5 are produced with 4 km spatial resolution. The overall dataset has been cross-validated and showed overall very good results. We hope that this open-access publication will facilitate further studies on the impacts of air pollution.
Benjamin Loubet, Pauline Buysse, Lais Gonzaga-Gomez, Florence Lafouge, Raluca Ciuraru, Céline Decuq, Julien Kammer, Sandy Bsaibes, Christophe Boissard, Brigitte Durand, Jean-Christophe Gueudet, Olivier Fanucci, Olivier Zurfluh, Letizia Abis, Nora Zannoni, François Truong, Dominique Baisnée, Roland Sarda-Estève, Michael Staudt, and Valérie Gros
Atmos. Chem. Phys., 22, 2817–2842, https://doi.org/10.5194/acp-22-2817-2022, https://doi.org/10.5194/acp-22-2817-2022, 2022
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Volatile organic compounds (VOCs) are precursors of tropospheric pollutants like ozone or aerosols. Emission by agricultural land was still poorly characterized. We report experimental measurements of ecosystem-scale VOC fluxes above a wheat field with a highly sensitive proton transfer mass spectrometer. We report the fluxes of 123 compounds and confirm that methanol is the most emitted VOC by wheat. The second most emitted compound was C6H4O. Around 75 % of the compounds were deposited.
Boris Vansevenant, Cédric Louis, Corinne Ferronato, Ludovic Fine, Patrick Tassel, Pascal Perret, Evangelia Kostenidou, Brice Temime-Roussel, Barbara D'Anna, Karine Sartelet, Véronique Cerezo, and Yao Liu
Atmos. Meas. Tech., 14, 7627–7655, https://doi.org/10.5194/amt-14-7627-2021, https://doi.org/10.5194/amt-14-7627-2021, 2021
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A new method was developed to correct wall losses of particles on Teflon walls using a new environmental chamber. It was applied to experiments with six diesel vehicles (Euro 3 to 6), tested on a chassis dynamometer. Emissions of particles and precursors were obtained under urban and motorway conditions. The chamber experiments help understand the role of physical processes in diesel particle evolutions in the dark. These results can be applied to situations such as tunnels or winter rush hours.
Lya Lugon, Jérémy Vigneron, Christophe Debert, Olivier Chrétien, and Karine Sartelet
Geosci. Model Dev., 14, 7001–7019, https://doi.org/10.5194/gmd-14-7001-2021, https://doi.org/10.5194/gmd-14-7001-2021, 2021
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The multiscale Street-in-Grid model is used to simulate black carbon (BC) concentrations in streets. To respect street-surface mass balance, particle resuspension is estimated with a new approach based on deposited mass. The contribution of resuspension is low, but non-exhaust emissions from tyre wear may largely contribute to BC concentrations. The impact of the two-way dynamic coupling between scales on BC concentrations varies depending on the street geometry and traffic emission intensity.
Laurent Menut, Bertrand Bessagnet, Régis Briant, Arineh Cholakian, Florian Couvidat, Sylvain Mailler, Romain Pennel, Guillaume Siour, Paolo Tuccella, Solène Turquety, and Myrto Valari
Geosci. Model Dev., 14, 6781–6811, https://doi.org/10.5194/gmd-14-6781-2021, https://doi.org/10.5194/gmd-14-6781-2021, 2021
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The CHIMERE chemistry-transport model is presented in its new version, V2020r1. Many changes are proposed compared to the previous version. These include online modeling, new parameterizations for aerosols, new emissions schemes, a new parameter file format, the subgrid-scale variability of urban concentrations and new transport schemes.
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Short summary
Aromatics compounds emitted in the atmosphere, such as benzene and phenol, contribute to the formation of organic aerosols. This study presents and evaluates an updated description of benzene chemistry, in which the most influential pathways are identified, including one developed in this work. The resulting mechanism reproduces laboratory observation with great accuracy and is reduced for use in large-scale air quality models.
Aromatics compounds emitted in the atmosphere, such as benzene and phenol, contribute to the...
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