Articles | Volume 19, issue 2
https://doi.org/10.5194/acp-19-1241-2019
© Author(s) 2019. 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-19-1241-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
31 Jan 2019
Research article |
| 31 Jan 2019
| 31 Jan 2019
Modeling the effect of non-ideality, dynamic mass transfer and viscosity on SOA formation in a 3-D air quality model
CEREA, Joint Laboratory École des Ponts ParisTech/EDF R&D,
Université Paris-Est, 77455 Champs-sur-Marne, France
Karine Sartelet
CEREA, Joint Laboratory École des Ponts ParisTech/EDF R&D,
Université Paris-Est, 77455 Champs-sur-Marne, France
Florian Couvidat
Institut National de l'Environnement Industriel et des Risques, 60550 Verneuil-en-Halatte, France
Related authors
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
Shoma Yamanouchi, Shayamilla Mahagammulla Gamage, Sara Torbatian, Jad Zalzal, Laura Minet, Audrey Smargiassi, Ying Liu, Ling Liu, Forood Azargoshasbi, Jinwoong Kim, Youngseob Kim, Daniel Yazgi, and Marianne Hatzopoulou
Geosci. Model Dev., 17, 3579–3597, https://doi.org/10.5194/gmd-17-3579-2024, https://doi.org/10.5194/gmd-17-3579-2024, 2024
Short summary
Short summary
Air pollution is a major health hazard, and chemical transport models (CTMs) are valuable tools that aid in our understanding of the risks of air pollution at both local and regional scales. In this study, the Polair3D CTM of the Polyphemus air quality modeling platform was set up over Quebec, Canada, to assess the model’s capability in predicting key air pollutant species over the region, at seasonal temporal scales and at regional spatial scales.
Tao Wang, Hang Liu, Jie Li, Shuai Wang, Youngseob Kim, Yele Sun, Wenyi Yang, Huiyun Du, Zhe Wang, and Zifa Wang
Geosci. Model Dev., 16, 5585–5599, https://doi.org/10.5194/gmd-16-5585-2023, https://doi.org/10.5194/gmd-16-5585-2023, 2023
Short summary
Short summary
This paper developed a two-way coupled module in a new version of a regional urban–street network model, IAQMS-street v2.0, in which the mass flux from streets to background is considered. Test cases are defined to evaluate the performance of IAQMS-street v2.0 in Beijing by comparing it with that simulated by IAQMS-street v1.0 and a regional model. The contribution of local emissions and the influence of on-road vehicle control measures on air quality are evaluated by using IAQMS-street v2.0.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
Aurélien Le Bayon, Aliisa Ojala, Siddharth Iyer, Zhizhao Wang, Victor Lannuque, Florian Couvidat, Raluca Ciuraru, and Karine Sartelet
EGUsphere, https://doi.org/10.5194/egusphere-2026-3391, https://doi.org/10.5194/egusphere-2026-3391, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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.
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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.
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
Short summary
Short summary
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
Short summary
Short summary
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.
Shoma Yamanouchi, Shayamilla Mahagammulla Gamage, Sara Torbatian, Jad Zalzal, Laura Minet, Audrey Smargiassi, Ying Liu, Ling Liu, Forood Azargoshasbi, Jinwoong Kim, Youngseob Kim, Daniel Yazgi, and Marianne Hatzopoulou
Geosci. Model Dev., 17, 3579–3597, https://doi.org/10.5194/gmd-17-3579-2024, https://doi.org/10.5194/gmd-17-3579-2024, 2024
Short summary
Short summary
Air pollution is a major health hazard, and chemical transport models (CTMs) are valuable tools that aid in our understanding of the risks of air pollution at both local and regional scales. In this study, the Polair3D CTM of the Polyphemus air quality modeling platform was set up over Quebec, Canada, to assess the model’s capability in predicting key air pollutant species over the region, at seasonal temporal scales and at regional spatial scales.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
Tao Wang, Hang Liu, Jie Li, Shuai Wang, Youngseob Kim, Yele Sun, Wenyi Yang, Huiyun Du, Zhe Wang, and Zifa Wang
Geosci. Model Dev., 16, 5585–5599, https://doi.org/10.5194/gmd-16-5585-2023, https://doi.org/10.5194/gmd-16-5585-2023, 2023
Short summary
Short summary
This paper developed a two-way coupled module in a new version of a regional urban–street network model, IAQMS-street v2.0, in which the mass flux from streets to background is considered. Test cases are defined to evaluate the performance of IAQMS-street v2.0 in Beijing by comparing it with that simulated by IAQMS-street v1.0 and a regional model. The contribution of local emissions and the influence of on-road vehicle control measures on air quality are evaluated by using IAQMS-street v2.0.
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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.
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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.
Cited articles
Abramson, E., Imre, D., Beranek, J., Wilson, J., and Zelenyuk, A.:
Experimental
determination of chemical diffusion within secondary organic aerosol
particles, Phys. Chem. Chem. Phys., 15, 2983–2991, https://doi.org/10.1039/C2CP44013J,
2013. a, b
Boucher, O.: Atmospheric Aerosols, Properties and Climate Impact,
Springer-Netherlands, https://doi.org/10.1007/978-94-017-9649-1, 2015. a
Bowman, F. M., Odum, J. R., Seinfeld, J. H., and Pandis, S. N.: Mathematical
model for gas-particle partitioning of secondary organic aerosols, Atmos.
Environ., 31, 3921–3931, https://doi.org/10.1016/S1352-2310(97)00245-8, 1997. a
Boylan, J. W. and Russell, A. G.: PM and light extinction model performance
metrics, goals, and criteria for three-dimensional air quality models,
Atmos. Environ., 40, 4946–4959, https://doi.org/10.1016/j.atmosenv.2005.09.087, 2006. a, b
Capaldo, K. P., Pilinis, C., and Pandis, S. N.: A computationally efficient
hybrid approach for dynamic gas/aerosol transfer in air quality models,
Atmos. Environ., 34, 3617–3627, https://doi.org/10.1016/S1352-2310(00)00092-3, 2000. a
Cappa, C. D. and Wilson, K. R.: Evolution of organic aerosol mass spectra
upon heating: implications for OA phase and partitioning behavior, Atmos.
Chem. Phys., 11, 1895–1911, https://doi.org/10.5194/acp-11-1895-2011, 2011. a
Choi, M. Y. and Chan, C. K.: The effects of organic species on the
hygroscopic
behaviors of inorganic aerosols, Environ. Sci. Technol., 36, 2422–2428,
https://doi.org/10.1021/es0113293, 2002. a
Chrit, M., Sartelet, K., Sciare, J., Pey, J., Marchand, N., Couvidat, F.,
Sellegri, K., and Beekmann, M.: Modelling organic aerosol concentrations and
properties during ChArMEx summer campaigns of 2012 and 2013 in the western
Mediterranean region, Atmos. Chem. Phys., 17, 12509–12531,
https://doi.org/10.5194/acp-17-12509-2017, 2017. a
Couvidat, F. and Sartelet, K.: The Secondary Organic Aerosol Processor (SOAP
v1.0) model: a unified model with different ranges of complexity based on the
molecular surrogate approach, Geosci. Model Dev., 8, 1111–1138,
https://doi.org/10.5194/gmd-8-1111-2015, 2015. a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p
Couvidat, F., Kim, Y., Sartelet, K., Seigneur, C., Marchand, N., and Sciare,
J.: Modeling secondary organic aerosol in an urban area: application to
Paris, France, Atmos. Chem. Phys., 13, 983–996,
https://doi.org/10.5194/acp-13-983-2013, 2013. a
Debry, E., Fahey, K., Sartelet, K., Sportisse, B., and Tombette, M.:
Technical Note: A new SIze REsolved Aerosol Model (SIREAM), Atmos. Chem.
Phys., 7, 1537–1547, https://doi.org/10.5194/acp-7-1537-2007, 2007. a, b, c
DeRieux, W.-S. W., Li, Y., Lin, P., Laskin, J., Laskin, A., Bertram, A. K.,
Nizkorodov, S. A., and Shiraiwa, M.: Predicting the glass transition
temperature and viscosity of secondary organic material using molecular
composition, Atmos. Chem. Phys., 18, 6331–6351,
https://doi.org/10.5194/acp-18-6331-2018, 2018. a
Fredenslund, A., Jones, R. L., and Prausnitz, J. M.: Group-contribution
estimation of activity coefficients in nonideal liquid mixtures, AIChE
J., 21, 1086–1099, https://doi.org/10.1002/aic.690210607, 1975. a, b
Guenther, A., Karl, T., Harley, P., Wiedinmyer, C., Palmer, P. I., and Geron,
C.: Estimates of global terrestrial isoprene emissions using MEGAN (Model of
Emissions of Gases and Aerosols from Nature), Atmos. Chem. Phys., 6,
3181–3210, https://doi.org/10.5194/acp-6-3181-2006, 2006. a, b
Jacobson, M. Z.: Development and application of a new air pollution modeling
system – II. Aerosol module structure and design, Atmos. Environ., 31, 131–144,
https://doi.org/10.1016/1352-2310(96)00202-6, 1997. a
Jathar, S. H., Mahmud, A., Barsanti, K. C., Asher, W. E., Pankow, J. F., and
Kleeman, M. J.: Water uptake by organic aerosol and its influence on
gas/particle partitioning of secondary organic aerosol in the United States,
Atmos. Environ., 129, 142–154, https://doi.org/10.1016/j.atmosenv.2016.01.001, 2016. a
Jimenez, J. L., Canagaratna, M. R., Donahue, N. M., Prevot, A. S., Zhang, Q.,
Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., Ng, N. L., Aiken, A. C.,
Docherty, K. D., Ulbrich, I., Grieshop, A. P., Robinson, A. L., Duplissy, J.,
Smith, J. D., Wilson, K. R., Lanz, V. A., Hueglin, C., Sun, Y. L., Tian, J.,
Laaksonen, A., Raatikainen, T., Rautiainen, J., Vaattovaara, P., Ehn, M.,
Kulmala, M., Tomlinson, J. M., Collins, D. R., Cubison, M. J., Dunlea, E. J.,
Huffman, J. A., Onasch, T. B., Alfarra, M. R., Williams, P. I., Bower, K.,
Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian,
K., Salcedo, D., Cottrell, L., Griffin, R., Takami, A., Miyoshi, T.,
Hatakeyama, S., Shimono, A., Sun, J. Y., Zhang, Y. M., Dzepina, K., Kimmel,
J. R., Sueper, D., Jayne, J. T., Herndon, S. C., Trimborn, A. M., Williams,
L. R., Wood, E. C., Kolb, C. E., Middlebrook, A. M., Baltensperger, U., and
Worsnop, D. R.: Evolution of organic aerosols in the atmosphere, Science,
326, 1525–1529, https://doi.org/10.1126/science.1180353, 2009. a
Kim, Y., Couvidat, F., Sartelet, K., and Seigneur, C.: Comparison of
different
gas-phase mechanisms and aerosol modules for simulating particulate matter
formation, Japca J. Air Waste Ma., 61, 1–9,
https://doi.org/10.1080/10473289.2011.603999, 2011. a
Krechmer, J. E., Day, D. A., Ziemann, P. J., and Jimenez, J. L.: Direct
measurements of gas/particle partitioning and mass accommodation coefficients
in environmental chambers, Environ. Sci. Technol., 51, 11867–11875,
https://doi.org/10.1021/acs.est.7b02144, 2017. a
Lopez-Hilfiker, F. D., Mohr, C., Ehn, M., Rubach, F., Kleist, E., Wildt, J.,
Mentel, Th. F., Carrasquillo, A. J., Daumit, K. E., Hunter, J. F., Kroll, J.
H., Worsnop, D. R., and Thornton, J. A.: Phase partitioning and volatility of
secondary organic aerosol components formed from α-pinene ozonolysis
and OH oxidation: the importance of accretion products and other low
volatility compounds, Atmos. Chem. Phys., 15, 7765–7776,
https://doi.org/10.5194/acp-15-7765-2015, 2015. a
Mallet, V., Quélo, D., Sportisse, B., Ahmed de Biasi, M., Debry, É.,
Korsakissok, I., Wu, L., Roustan, Y., Sartelet, K., Tombette, M., and
Foudhil, H.: Technical Note: The air quality modeling system Polyphemus,
Atmos. Chem. Phys., 7, 5479–5487, https://doi.org/10.5194/acp-7-5479-2007,
2007. a
Maples, R. E.: Petroleum Refinery Process Economics, Pennwell Books, 2nd
Edn.,
2000. a
Meng, Z., Dabdub, D., and Seinfeld, J. H.: Size-resolved and chemically
resolved model of atmospheric aerosol dynamics, J. Geophys. Res., 103,
https://doi.org/10.1029/97JD02796, 1998. a
Nenes, A., Pandis, S. N., and Pilinis, C.: ISORROPIA: A new thermodynamic
equilibrium model for multiphase multicomponent inorganic aerosols, Aquat.
Geochem., 4, 123–152, https://doi.org/10.1023/A:1009604003981, 1998. a
Nenes, A., Pandis, S. N., and Pilinis, C.: Continued development and testing
of
a new thermodynamic aerosol module for urban and regional air quality models,
Atmos. Environ., 33, 1553–1560, https://doi.org/10.1016/S1352-2310(98)00352-5, 1999. a
O'Meara, S., Topping, D. O., Zaveri, R. A., and McFiggans, G.: An efficient
approach for treating composition-dependent diffusion within organic
particles, Atmos. Chem. Phys., 17, 10477–10494,
https://doi.org/10.5194/acp-17-10477-2017, 2017. a
Pankow, J. F.: An absorption model of gas/particle partitioning of organic
compounds in the atmosphere, Atmos. Environ., 28, 185–188,
https://doi.org/10.1016/1352-2310(94)90093-0, 1994. a, b
Pfrang, C., Shiraiwa, M., and Pöschl, U.: Chemical ageing and
transformation of diffusivity in semi-solid multi-component organic aerosol
particles, Atmos. Chem. Phys., 11, 7343–7354,
https://doi.org/10.5194/acp-11-7343-2011, 2011. a, b
Putaud, J.-P., Raes, F., Van Dingenen, R., Brüggemann, E., Facchini,
M.-C., Decesari, S., Fuzzi, S., Gehrig, R., Hüglin, C., Laj, P., Lorbeer,
G., Maenhaut, W., Mihalopoulos, N., Müller, K., Querol, X., Rodriguez,
S., Schneider, J., Spindler, G., ten Brink, H., Tørseth, K., and
Wiedensohler, A.: A european aerosol phenomenology – 2: chemical
characteristics of particulate matter at kerbside, urban, rural and
background sites in Europe, Atmos. Environ., 38, 2579–2595,
https://doi.org/10.1016/j.atmosenv.2004.01.041, 2004. a
Pye, H. O. T., Murphy, B. N., Xu, L., Ng, N. L., Carlton, A. G., Guo, H.,
Weber, R., Vasilakos, P., Appel, K. W., Budisulistiorini, S. H., Surratt, J.
D., Nenes, A., Hu, W., Jimenez, J. L., Isaacman-VanWertz, G., Misztal, P. K.,
and Goldstein, A. H.: On the implications of aerosol liquid water and phase
separation for organic aerosol mass, Atmos. Chem. Phys., 17, 343–369,
https://doi.org/10.5194/acp-17-343-2017, 2017. a
Pye, H. O. T., Zuend, A., Fry, J. L., Isaacman-VanWertz, G., Capps, S. L.,
Appel, K. W., Foroutan, H., Xu, L., Ng, N. L., and Goldstein, A. H.: Coupling
of organic and inorganic aerosol systems and the effect on gas–particle
partitioning in the southeastern US, Atmos. Chem. Phys., 18, 357–370,
https://doi.org/10.5194/acp-18-357-2018, 2018. a
Rattanavaraha, W., Rosen, E., Zhang, H., Li, Q., Pantong, K., and Kamens,
R. M.: The reactive oxidant potential of different types of aged atmospheric
particles: An outdoor chamber study, Atmos. Environ., 45, 3848–3855,
https://doi.org/10.1016/j.atmosenv.2011.04.002, 2011. a
Reid, J. P., Bertram, A. K., Topping, D. O., Laskin, A., Martin, S. T.,
Petters, M. D., Pope, F. D., and Rovelli, G.: The viscosity of
atmospherically relevant organic particles, Nat. Commun., 9, 956,
https://doi.org/10.1038/s41467-018-03027-z, 2018. a
Renbaum-Wolff, L., Grayson, J. W., Bateman, A. P., Kuwata, M., Sellier, M.,
Murray, B. J., Shilling, J. E., Martin, S. T., and Bertram, A. K.: Viscosity
of α-pinene secondary organic material and implications for particle
growth and reactivity, P. Natl. Acad. Sci. USA, 110, 8014–8019,
https://doi.org/10.1073/pnas.1219548110, 2013. a
Roldin, P., Eriksson, A. C., Nordin, E. Z., Hermansson, E., Mogensen, D.,
Rusanen, A., Boy, M., Swietlicki, E., Svenningsson, B., Zelenyuk, A., and
Pagels, J.: Modelling non-equilibrium secondary organic aerosol formation and
evaporation with the aerosol dynamics, gas- and particle-phase chemistry
kinetic multilayer model ADCHAM, Atmos. Chem. Phys., 14, 7953–7993,
https://doi.org/10.5194/acp-14-7953-2014, 2014. a
Saleh, R., Donahue, N. M., and Robinson, A. L.: Time scales for gas-particle
partitioning equilibration of secondary organic aerosol formed from
alpha-pinene ozonolysis, Environ. Sci. Technol., 47, 5588–5594,
https://doi.org/10.1021/es400078d, 2013. a
Sartelet, K., Hayami, H., and Sportisse, B.: Dominant aerosol processes
during
high-pollution episodes over Greater Tokyo, J. Geophys. Res., 112, D14214,
https://doi.org/10.1029/2006JD007885, 2007a. a
Sartelet, K. N., Debry, E., Fahey, K., Roustan, Y., Tombette, M., and
Sportisse, B.: Simulation of aerosols and gas-phase species over Europe
with the Polyphemus system: Part I–Model-to-data comparison for
2001, Atmos. Environ., 41, 6116–6131, https://doi.org/10.1016/j.atmosenv.2007.04.024,
2007b. a
Sartelet, K. N., Couvidat, F., Seigneur, C., and Roustan, Y.: Impact of
biogenic emissions on air quality over Europe and North America, Atmos.
Environ., 53, 131–141, https://doi.org/10.1016/j.atmosenv.2011.10.046, 2012. a
Seinfeld, J. H. and Pandis, S. N.: Atmospheric chemistry and physics: from
air
pollution to climate change, Wiley-Interscience, New York, 1998. a
Shiraiwa, M. and Seinfeld, J. H.: Equilibration timescale of atmospheric
secondary organic aerosol partitioning, Geophys. Res. Lett., 39, L24801,
https://doi.org/10.1029/2012GL054008, 2012. a
Shiraiwa, M., Ammann, M., Koop, T., and Pöschl, U.: Gas uptake and chemical
aging of semisolid organic aerosol particles, P. Natl. Acad. Sci. USA, 108,
11003–11008, https://doi.org/10.1073/pnas.1103045108, 2011. a
Shiraiwa, M., Pfrang, C., Koop, T., and Pöschl, U.: Kinetic multi-layer
model of gas-particle interactions in aerosols and clouds (KM-GAP): linking
condensation, evaporation and chemical reactions of organics, oxidants and
water, Atmos. Chem. Phys., 12, 2777–2794,
https://doi.org/10.5194/acp-12-2777-2012, 2012. a
Shiraiwa, M., Zuend, A., Bertram, A. K., and Seinfeld, J. H.: Gas-particle
partitioning of atmospheric aerosols: interplay of physical state,
non-ideal mixing and morphology, Phys. Chem. Chem. Phys., 15,
11441–11453, https://doi.org/10.1039/C3CP51595H, 2013. a
Shiraiwa, M., Li, Y., Tsimpidi, A. P., Karydis, V. A., Berkemeier, T.,
Pandis,
S. N., Lelieveld, J., Koop, T., and Pöschl, U.: Global distribution of
particle phase state in atmospheric secondary organic aerosols, Nat.
Commun., 8, 15002, https://doi.org/10.1038/ncomms15002, 2017. a
Shrivastava, M., Cappa, C., Fan, J., Goldstein, A., Guenther, A., Jimenez,
J.,
Kuang, C., Laskin, A., Martin, S., Ng, N., Petaja, T., Pierce, J., Rasch, P.,
Roldin, P., Seinfeld, J., Shilling, J., Smith, J., Thornton, J., Volkamer,
R., Wang, J., Worsnop, D., Zaveri, R., Zelenyuk, A., and Zhang, Q.: Recent
advances in understanding secondary organic aerosol: Implications for global
climate forcing, Rev. Geophys., 55, 509–559, https://doi.org/10.1002/2016RG000540,
2017. a, b
Song, M., Liu, P. F., Hanna, S. J., Zaveri, R. A., Potter, K., You, Y.,
Martin, S. T., and Bertram, A. K.: Relative humidity-dependent viscosity of
secondary organic material from toluene photo-oxidation and possible
implications for organic particulate matter over megacities, Atmos. Chem.
Phys., 16, 8817–8830, https://doi.org/10.5194/acp-16-8817-2016, 2016a. a
Song, Y. C., Haddrell, A. E., Bzdek, B. R., Reid, J. P., Bannan, T., Topping,
D. O., Percival, C., and Cai, C.: Measurements and predictions of binary
component aerosol particle viscosity, J. Phys. Chem. A, 120, 8123–8137,
https://doi.org/10.1021/acs.jpca.6b07835, 2016b. a
Sun, Q. and Wexler, A. S.: Modeling urban and regional aerosols–condensation
and evaporation near acid neutrality, Atmos. Environ., 32, 3527–3531,
https://doi.org/10.1016/S1352-2310(98)00059-4, 1998. a
Vaden, T. D., Imre, D., Beránek, J., Shrivastava, M., and Zelenyuk, A.:
Evaporation kinetics and phase of laboratory and ambient secondary organic
aerosol, Proc. Natl. Acad. Sci., 108, 2190–2195,
https://doi.org/10.1073/pnas.1013391108, 2011. a
Virtanen, A., Joutsensaari, J., Koop, T., Kannosto, J., Yli-Pirilä, P.,
Leskinen, J., Mäkelä, J. M., Holopainen, J. K., Pöschl, U., Kulmala, M.,
Worsnop, D. R., and Laaksonen, A.: An amorphous solid state of biogenic
secondary organic aerosol particles, Nature, 467, 824–827,
https://doi.org/10.1038/nature09455, 2010. a
Wexler, A. S. and Seinfeld, J. H.: The distribution of ammonium salts among a
size and composition dispersed aerosol, Atmos. Environ., 24, 1231–1246,
https://doi.org/10.1016/0960-1686(90)90088-5, 1990. a
Yarwood, G., Rao, S., Yocke, M., and Whitten, G.: Updates to the carbon bond
chemical mechanism: CB05, Rep. RT-0400675, available at:
http://www.camx.com/files/cb05_final_report_120805.aspx (last access: 21
September 2018), 2005. a
Yatavelli, R. L. N., Stark, H., Thompson, S. L., Kimmel, J. R., Cubison, M.
J., Day, D. A., Campuzano-Jost, P., Palm, B. B., Hodzic, A., Thornton, J. A.,
Jayne, J. T., Worsnop, D. R., and Jimenez, J. L.: Semicontinuous measurements
of gas–particle partitioning of organic acids in a ponderosa pine forest
using a MOVI-HRToF-CIMS, Atmos. Chem. Phys., 14, 1527–1546,
https://doi.org/10.5194/acp-14-1527-2014, 2014. a
Zhang, Y., Pun, B., Vijayaraghavan, K., Wu, S.-Y., Seigneur, C., Pandis,
S. N.,
Jacobson, M. Z., Nenes, A., and Seinfeld, J. H.: Development and application
of the Model of Aerosol Dynamics, Reaction, Ionization, and Dissolution
(MADRID), J. Geophys. Res., 109, D01202, https://doi.org/10.1029/2003JD003501, 2004.
a
Zhu, S., Sartelet, K., Healy, R., and Wenger, J.: Simulation of particle
diversity and mixing state over Greater Paris: A model-measurement
inter-comparison, Faraday Discuss., 189, 547–566, https://doi.org/10.1039/C5FD00175G,
2016. a
Zuend, A., Marcolli, C., Luo, B. P., and Peter, T.: A thermodynamic model of
mixed organic-inorganic aerosols to predict activity coefficients, Atmos.
Chem. Phys., 8, 4559–4593, https://doi.org/10.5194/acp-8-4559-2008, 2008. a, b, c
Short summary
Assumptions (ideality and thermodynamic equilibrium) commonly made in 3-dimensional air quality models were reconsidered to evaluate their impacts on secondary organic aerosol (SOA) formation. Non-ideality (short-, medium- and long-range interactions of organics and inorganics) influences SOA concentrations by about 30 % over Europe. If SOA are highly viscous rather than inviscid, hydrophobic SOA concentrations increase by 6 % but can increase by an order of magnitude for volatile compounds.
Assumptions (ideality and thermodynamic equilibrium) commonly made in 3-dimensional air quality...
Altmetrics
Final-revised paper
Preprint