Articles | Volume 20, issue 8
https://doi.org/10.5194/acp-20-4905-2020
© Author(s) 2020. 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-20-4905-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
27 Apr 2020
Research article |
| 27 Apr 2020
| 27 Apr 2020
Modeling organic aerosol over Europe in summer conditions with the VBS-GECKO parameterization: sensitivity to secondary organic compound properties and IVOC (intermediate-volatility organic compound) emissions
Victor Lannuque
CORRESPONDING AUTHOR
LISA, UMR CNRS 7583, IPSL, Université Paris Est Créteil and
Université de Paris, 94010 Créteil CEDEX, France
INERIS, National Institute for Industrial Environment and Risks,
Parc Technologique ALATA, 60550 Verneuil-en-Halatte, France
Agence de l'Environnement et de la Maîtrise de l'Energie, 20
avenue du Grésillé – BP 90406, 49004 Angers CEDEX 01, France
now at: CEREA, Joint Laboratory École des Ponts ParisTech – EDF R&D, Université Paris-Est, 77455 Marne la Vallée, France
Florian Couvidat
CORRESPONDING AUTHOR
INERIS, National Institute for Industrial Environment and Risks,
Parc Technologique ALATA, 60550 Verneuil-en-Halatte, France
Marie Camredon
LISA, UMR CNRS 7583, IPSL, Université Paris Est Créteil and
Université de Paris, 94010 Créteil CEDEX, France
Bernard Aumont
LISA, UMR CNRS 7583, IPSL, Université Paris Est Créteil and
Université de Paris, 94010 Créteil CEDEX, France
Bertrand Bessagnet
INERIS, National Institute for Industrial Environment and Risks,
Parc Technologique ALATA, 60550 Verneuil-en-Halatte, France
now at: CITEPA: Technical Reference Center for Air Pollution and
Climate Change, 42, rue de Paradis, 75010 Paris, France
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Air pollution's origin in cities is still a point of discussion, and approaches to assess the city's responsibility for its pollution are not harmonized and thus not comparable, resulting in sometimes contradicting interpretations. We show that methodological choices can easily lead to differences of a factor of 2 in terms of responsibility outcome and stress that methodological choices and assumptions most often lead to a systematic and important underestimation of the city's responsibility.
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.
Gaëlle Dufour, Didier Hauglustaine, Yunjiang Zhang, Maxim Eremenko, Yann Cohen, Audrey Gaudel, Guillaume Siour, Mathieu Lachatre, Axel Bense, Bertrand Bessagnet, Juan Cuesta, Jerry Ziemke, Valérie Thouret, and Bo Zheng
Atmos. Chem. Phys., 21, 16001–16025, https://doi.org/10.5194/acp-21-16001-2021, https://doi.org/10.5194/acp-21-16001-2021, 2021
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The IASI observations and the LMDZ-OR-INCA model simulations show negative ozone trends in the Central East China region in the lower free (3–6 km column) and the upper free (6–9 km column) troposphere. Sensitivity studies from the model show that the Chinese anthropogenic emissions contribute to more than 50 % in the trend. The reduction in NOx emissions that has occurred since 2013 in China seems to lead to a decrease in ozone in the free troposphere, contrary to the increase at the surface.
Zhe Peng, Julia Lee-Taylor, Harald Stark, John J. Orlando, Bernard Aumont, and Jose L. Jimenez
Atmos. Chem. Phys., 21, 14649–14669, https://doi.org/10.5194/acp-21-14649-2021, https://doi.org/10.5194/acp-21-14649-2021, 2021
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We use the fully explicit GECKO-A model to study the OH reactivity (OHR) evolution in the NO-free photooxidation of several volatile organic compounds. Oxidation progressively produces more saturated and functionalized species, then breaks them into small species. OHR per C atom evolution is similar for different precursors once saturated multifunctional species are formed. We also find that partitioning of these species to chamber walls leads to large deviations in chambers from the atmosphere.
Victor Lannuque, Bastien Sauvage, Brice Barret, Hannah Clark, Gilles Athier, Damien Boulanger, Jean-Pierre Cammas, Jean-Marc Cousin, Alain Fontaine, Eric Le Flochmoën, Philippe Nédélec, Hervé Petetin, Isabelle Pfaffenzeller, Susanne Rohs, Herman G. J. Smit, Pawel Wolff, and Valérie Thouret
Atmos. Chem. Phys., 21, 14535–14555, https://doi.org/10.5194/acp-21-14535-2021, https://doi.org/10.5194/acp-21-14535-2021, 2021
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The African intertropical troposphere is one of the world areas where the increase in ozone mixing ratio has been most pronounced since 1980 and where high carbon monoxide mixing ratios are found in altitude. In this article, IAGOS aircraft measurements, IASI satellite instrument observations, and SOFT-IO model products are used to explore the seasonal distribution variations and the origin of ozone and carbon monoxide over the African upper troposphere.
Isaac Kwadjo Afreh, Bernard Aumont, Marie Camredon, and Kelley Claire Barsanti
Atmos. Chem. Phys., 21, 11467–11487, https://doi.org/10.5194/acp-21-11467-2021, https://doi.org/10.5194/acp-21-11467-2021, 2021
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This is the first mechanistic modeling study of secondary organic aerosol (SOA) from the understudied monoterpene, camphene. The semi-explicit chemical model GECKO-A predicted camphene SOA yields that were ~2 times α-pinene. Using 50/50 α-pinene + limonene as a surrogate for camphene increased predicted SOA mass from biomass burning fuels by up to ~100 %. The accurate representation of camphene in air quality models can improve predictions of SOA when camphene is a dominant monoterpene.
Tommaso Galeazzo, Richard Valorso, Ying Li, Marie Camredon, Bernard Aumont, and Manabu Shiraiwa
Atmos. Chem. Phys., 21, 10199–10213, https://doi.org/10.5194/acp-21-10199-2021, https://doi.org/10.5194/acp-21-10199-2021, 2021
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We simulate SOA viscosity with explicit modeling of gas-phase oxidation of isoprene and α-pinene. While the viscosity dependence on relative humidity and mass loadings is captured well by simulations, the model underestimates measured viscosity, indicating missing processes. Kinetic limitations and reduction in mass accommodation may cause an increase in viscosity. The developed model is powerful for investigation of the interplay among gas reactions, chemical composition and phase state.
Gabriel Isaacman-VanWertz and Bernard Aumont
Atmos. Chem. Phys., 21, 6541–6563, https://doi.org/10.5194/acp-21-6541-2021, https://doi.org/10.5194/acp-21-6541-2021, 2021
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There are tens of thousands of different chemical compounds in the atmosphere. To tackle this complexity, there are a wide range of different methods to estimate their physical and chemical properties. We use these methods to understand how much the detailed structure of a molecule impacts its properties, and the extent to which properties can be estimated without knowing this level of detail. We find that structure matters, but methods lacking that level of detail still perform reasonably well.
Audrey Fortems-Cheiney, Gaëlle Dufour, Karine Dufossé, Florian Couvidat, Jean-Marc Gilliot, Guillaume Siour, Matthias Beekmann, Gilles Foret, Frederik Meleux, Lieven Clarisse, Pierre-François Coheur, Martin Van Damme, Cathy Clerbaux, and Sophie Génermont
Atmos. Chem. Phys., 20, 13481–13495, https://doi.org/10.5194/acp-20-13481-2020, https://doi.org/10.5194/acp-20-13481-2020, 2020
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Studies have suggested the importance of ammonia emissions on pollution particle formation over Europe, whose main atmospheric source is agriculture. In this study, we performed an inter-comparison of two alternative inventories, both with a reference inventory, that quantify the French ammonia emissions during spring 2011. Over regions with large mineral fertilizer use, like over northeastern France, NH3 emissions are probably considerably underestimated by the reference inventory.
Michael E. Jenkin, Richard Valorso, Bernard Aumont, Mike J. Newland, and Andrew R. Rickard
Atmos. Chem. Phys., 20, 12921–12937, https://doi.org/10.5194/acp-20-12921-2020, https://doi.org/10.5194/acp-20-12921-2020, 2020
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Unsaturated organic compounds are emitted in large quantities from natural and human-influenced sources. Atmospheric removal occurs significantly by reaction with ozone, initiating reaction sequences forming free radicals and organic pollutants in the gaseous and particulate phases. Due to their very large number, it is impossible to study the reaction rate for every compound, and most have to be estimated. Updated and extended estimation methods are reported for use in atmospheric models.
Camille Mouchel-Vallon, Julia Lee-Taylor, Alma Hodzic, Paulo Artaxo, Bernard Aumont, Marie Camredon, David Gurarie, Jose-Luis Jimenez, Donald H. Lenschow, Scot T. Martin, Janaina Nascimento, John J. Orlando, Brett B. Palm, John E. Shilling, Manish Shrivastava, and Sasha Madronich
Atmos. Chem. Phys., 20, 5995–6014, https://doi.org/10.5194/acp-20-5995-2020, https://doi.org/10.5194/acp-20-5995-2020, 2020
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The GoAmazon 2014/5 field campaign took place near the city of Manaus, Brazil, isolated in the Amazon rainforest, to study the impacts of urban pollution on natural air masses. We simulated this campaign with an extremely detailed organic chemistry model to understand how the city would affect the growth and composition of natural aerosol particles. Discrepancies between the model and the measurements indicate that the chemistry of naturally emitted organic compounds is still poorly understood.
Laurent Menut, Guillaume Siour, Bertrand Bessagnet, Florian Couvidat, Emilie Journet, Yves Balkanski, and Karine Desboeufs
Geosci. Model Dev., 13, 2051–2071, https://doi.org/10.5194/gmd-13-2051-2020, https://doi.org/10.5194/gmd-13-2051-2020, 2020
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Modelling of mineral dust is often done using one single mean species. In this study, differentiated mineral species with their chemical composition are implemented in the CHIMERE regional chemistry-transport model by using global databases. Simulations are carried out to quantify the realism and gain of such mineralogy.
Giancarlo Ciarelli, Mark R. Theobald, Marta G. Vivanco, Matthias Beekmann, Wenche Aas, Camilla Andersson, Robert Bergström, Astrid Manders-Groot, Florian Couvidat, Mihaela Mircea, Svetlana Tsyro, Hilde Fagerli, Kathleen Mar, Valentin Raffort, Yelva Roustan, Maria-Teresa Pay, Martijn Schaap, Richard Kranenburg, Mario Adani, Gino Briganti, Andrea Cappelletti, Massimo D'Isidoro, Cornelis Cuvelier, Arineh Cholakian, Bertrand Bessagnet, Peter Wind, and Augustin Colette
Geosci. Model Dev., 12, 4923–4954, https://doi.org/10.5194/gmd-12-4923-2019, https://doi.org/10.5194/gmd-12-4923-2019, 2019
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The novel multi-model EURODELTA-Trends exercise provided 21 years of continuous PM components and their gas-phase precursor concentrations over Europe from the year 1990. The models’ capabilities to reproduce PM components and gas-phase PM precursor trends over the 1990–2010 period is the key focus of this study. The models were able to reproduce the observed trends relatively well, indicating a possible shift in the thermodynamic equilibrium between gas and particle phases.
Peter Bräuer, Camille Mouchel-Vallon, Andreas Tilgner, Anke Mutzel, Olaf Böge, Maria Rodigast, Laurent Poulain, Dominik van Pinxteren, Ralf Wolke, Bernard Aumont, and Hartmut Herrmann
Atmos. Chem. Phys., 19, 9209–9239, https://doi.org/10.5194/acp-19-9209-2019, https://doi.org/10.5194/acp-19-9209-2019, 2019
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The article presents a new protocol for computer-assisted automated aqueous-phase chemistry mechanism generation, which has been validated against chamber experiments. Together with a large kinetics database and improved prediction methods for kinetic data, the novel protocol provides an unmatched tool for detailed studies of tropospheric aqueous-phase chemistry in complex model studies and for the design and analysis of chamber experiments.
Michael E. Jenkin, Richard Valorso, Bernard Aumont, and Andrew R. Rickard
Atmos. Chem. Phys., 19, 7691–7717, https://doi.org/10.5194/acp-19-7691-2019, https://doi.org/10.5194/acp-19-7691-2019, 2019
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Organic compounds are emitted in large amounts from natural and human-influenced sources. Peroxy radicals are key intermediates formed during oxidation of organic compounds, and play a central role in mechanisms forming pollutants such as ozone and organic particles. Due to the large number of different peroxy radicals formed, it is impossible to study the rates of all of their reactions, and most have to be estimated. Updated and new estimation methods are reported for use in atmospheric models
Marwa Majdi, Karine Sartelet, Grazia Maria Lanzafame, Florian Couvidat, Youngseob Kim, Mounir Chrit, and Solene Turquety
Atmos. Chem. Phys., 19, 5543–5569, https://doi.org/10.5194/acp-19-5543-2019, https://doi.org/10.5194/acp-19-5543-2019, 2019
Youngseob Kim, Karine Sartelet, and Florian Couvidat
Atmos. Chem. Phys., 19, 1241–1261, https://doi.org/10.5194/acp-19-1241-2019, https://doi.org/10.5194/acp-19-1241-2019, 2019
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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.
Mark R. Theobald, Marta G. Vivanco, Wenche Aas, Camilla Andersson, Giancarlo Ciarelli, Florian Couvidat, Kees Cuvelier, Astrid Manders, Mihaela Mircea, Maria-Teresa Pay, Svetlana Tsyro, Mario Adani, Robert Bergström, Bertrand Bessagnet, Gino Briganti, Andrea Cappelletti, Massimo D'Isidoro, Hilde Fagerli, Kathleen Mar, Noelia Otero, Valentin Raffort, Yelva Roustan, Martijn Schaap, Peter Wind, and Augustin Colette
Atmos. Chem. Phys., 19, 379–405, https://doi.org/10.5194/acp-19-379-2019, https://doi.org/10.5194/acp-19-379-2019, 2019
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Model estimates of the mean European wet deposition of nitrogen and sulfur for 1990 to 2010 were within 40 % of the observed values. As a result of systematic biases, the models were better at estimating relative trends for the periods 1990–2000 and 2000–2010 than the absolute trends. Although the predominantly decreasing trends were mostly due to emission reductions, they were partially offset by other factors (e.g. changes in precipitation) during the first period, but not the second.
Florian Couvidat, Marta G. Vivanco, and Bertrand Bessagnet
Atmos. Chem. Phys., 18, 15743–15766, https://doi.org/10.5194/acp-18-15743-2018, https://doi.org/10.5194/acp-18-15743-2018, 2018
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Several new parameterizations and mechanisms for SOA formation are developed based on available experimental results. To evaluate the parameterizations, a box model was developed to simulate SOA formation from monoterpenes and aromatics in the environmental chamber EUPHORE. This box model takes oligomerization, nonideality of the aerosol, multiphase partitioning, aging, vapor wall losses and particle-phase diffusion into account. All these phenomena are rarely taken into account together.
Victor Lannuque, Marie Camredon, Florian Couvidat, Alma Hodzic, Richard Valorso, Sasha Madronich, Bertrand Bessagnet, and Bernard Aumont
Atmos. Chem. Phys., 18, 13411–13428, https://doi.org/10.5194/acp-18-13411-2018, https://doi.org/10.5194/acp-18-13411-2018, 2018
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Large uncertainties remain in understanding the influence of atmospheric environmental conditions on secondary organic aerosol (SOA) formation, evolution and properties. In this article, the GECKO-A modelling tool has been used in a box model under various environmental conditions to (i) explore the sensitivity of SOA formation and properties to changes on physical and chemical conditions and (ii) develop a volatility-basis-set-type parameterization for air quality models.
Noelia Otero, Jana Sillmann, Kathleen A. Mar, Henning W. Rust, Sverre Solberg, Camilla Andersson, Magnuz Engardt, Robert Bergström, Bertrand Bessagnet, Augustin Colette, Florian Couvidat, Cournelius Cuvelier, Svetlana Tsyro, Hilde Fagerli, Martijn Schaap, Astrid Manders, Mihaela Mircea, Gino Briganti, Andrea Cappelletti, Mario Adani, Massimo D'Isidoro, María-Teresa Pay, Mark Theobald, Marta G. Vivanco, Peter Wind, Narendra Ojha, Valentin Raffort, and Tim Butler
Atmos. Chem. Phys., 18, 12269–12288, https://doi.org/10.5194/acp-18-12269-2018, https://doi.org/10.5194/acp-18-12269-2018, 2018
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This paper evaluates the capability of air-quality models to capture the observed relationship between surface ozone concentrations and meteorology over Europe. The air-quality models tended to overestimate the influence of maximum temperature and surface solar radiation. None of the air-quality models captured the strength of the observed relationship between ozone and relative humidity appropriately, underestimating the effect of relative humidity, a key factor in the ozone removal processes.
Marta G. Vivanco, Mark R. Theobald, Héctor García-Gómez, Juan Luis Garrido, Marje Prank, Wenche Aas, Mario Adani, Ummugulsum Alyuz, Camilla Andersson, Roberto Bellasio, Bertrand Bessagnet, Roberto Bianconi, Johannes Bieser, Jørgen Brandt, Gino Briganti, Andrea Cappelletti, Gabriele Curci, Jesper H. Christensen, Augustin Colette, Florian Couvidat, Cornelis Cuvelier, Massimo D'Isidoro, Johannes Flemming, Andrea Fraser, Camilla Geels, Kaj M. Hansen, Christian Hogrefe, Ulas Im, Oriol Jorba, Nutthida Kitwiroon, Astrid Manders, Mihaela Mircea, Noelia Otero, Maria-Teresa Pay, Luca Pozzoli, Efisio Solazzo, Svetlana Tsyro, Alper Unal, Peter Wind, and Stefano Galmarini
Atmos. Chem. Phys., 18, 10199–10218, https://doi.org/10.5194/acp-18-10199-2018, https://doi.org/10.5194/acp-18-10199-2018, 2018
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European wet and dry atmospheric deposition of N and S estimated by 14 air quality models was found to vary substantially. An ensemble of models meeting acceptability criteria was used to estimate the exceedances of the critical loads for N in habitats within the Natura 2000 network, as well as their lower and upper limits. Scenarios with 20 % emission reductions in different regions of the world showed that European emissions are responsible for most of the N and S deposition in Europe.
Michael E. Jenkin, Richard Valorso, Bernard Aumont, Andrew R. Rickard, and Timothy J. Wallington
Atmos. Chem. Phys., 18, 9297–9328, https://doi.org/10.5194/acp-18-9297-2018, https://doi.org/10.5194/acp-18-9297-2018, 2018
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Organic compounds are emitted in large quantities from natural and human-influenced sources. Removal from the atmosphere occurs mainly by reaction with hydroxyl (OH) radicals, and initiates reaction sequences forming pollutants such as ozone and organic particles. Due to their very large number, it is impossible to measure the removal rate for all compounds, and most have to be estimated. An updated and extended estimation method is reported for use in atmospheric models and impact assessments.
Michael E. Jenkin, Richard Valorso, Bernard Aumont, Andrew R. Rickard, and Timothy J. Wallington
Atmos. Chem. Phys., 18, 9329–9349, https://doi.org/10.5194/acp-18-9329-2018, https://doi.org/10.5194/acp-18-9329-2018, 2018
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Organic compounds are emitted in large quantities from natural and human-influenced sources. Removal from the atmosphere occurs mainly by reaction with hydroxyl (OH) radicals, and initiates reaction sequences forming pollutants such as ozone and organic particles. Due to their very large number, it is impossible to measure the removal rate for all compounds, and most have to be estimated. An updated and extended estimation method is reported for use in atmospheric models and impact assessments.
Arineh Cholakian, Matthias Beekmann, Augustin Colette, Isabelle Coll, Guillaume Siour, Jean Sciare, Nicolas Marchand, Florian Couvidat, Jorge Pey, Valerie Gros, Stéphane Sauvage, Vincent Michoud, Karine Sellegri, Aurélie Colomb, Karine Sartelet, Helen Langley DeWitt, Miriam Elser, André S. H. Prévot, Sonke Szidat, and François Dulac
Atmos. Chem. Phys., 18, 7287–7312, https://doi.org/10.5194/acp-18-7287-2018, https://doi.org/10.5194/acp-18-7287-2018, 2018
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In this work, four schemes for the simulation of organic aerosols in the western Mediterranean basin are added to the CHIMERE chemistry–transport model; the resulting simulations are then compared to measurements obtained from ChArMEx. It is concluded that the scheme taking into account the fragmentation and the formation of nonvolatile organic aerosols corresponds better to measurements; the major source of this aerosol in the western Mediterranean is found to be of biogenic origin.
Florian Couvidat, Bertrand Bessagnet, Marta Garcia-Vivanco, Elsa Real, Laurent Menut, and Augustin Colette
Geosci. Model Dev., 11, 165–194, https://doi.org/10.5194/gmd-11-165-2018, https://doi.org/10.5194/gmd-11-165-2018, 2018
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This paper includes the development of a new aerosol module in the air quality model CHIMERE to improve particulate matter (PM) simulation. The results of the model are compared to numerous measurements over Europe to evaluate the strengths and weaknesses of the model.
Yunjiang Zhang, Lili Tang, Philip L. Croteau, Olivier Favez, Yele Sun, Manjula R. Canagaratna, Zhuang Wang, Florian Couvidat, Alexandre Albinet, Hongliang Zhang, Jean Sciare, André S. H. Prévôt, John T. Jayne, and Douglas R. Worsnop
Atmos. Chem. Phys., 17, 14501–14517, https://doi.org/10.5194/acp-17-14501-2017, https://doi.org/10.5194/acp-17-14501-2017, 2017
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We conducted the first field measurements of non-refractory fine aerosols (NR-PM2.5) in a megacity of eastern China using a PM2.5-ACSM along with a PM1-ACSM measurement. Inter-comparisons demonstrated that the NR-PM2.5 components can be characterized. Substantial mass fractions of aerosol species were observed in the size range of 1–2.5 μm, with sulfate and SOA being the two largest contributors. The impacts of aerosol water driven by secondary inorganic aerosols on SOA formation were explored.
Mounir Chrit, Karine Sartelet, Jean Sciare, Jorge Pey, Nicolas Marchand, Florian Couvidat, Karine Sellegri, and Matthias Beekmann
Atmos. Chem. Phys., 17, 12509–12531, https://doi.org/10.5194/acp-17-12509-2017, https://doi.org/10.5194/acp-17-12509-2017, 2017
Augustin Colette, Camilla Andersson, Astrid Manders, Kathleen Mar, Mihaela Mircea, Maria-Teresa Pay, Valentin Raffort, Svetlana Tsyro, Cornelius Cuvelier, Mario Adani, Bertrand Bessagnet, Robert Bergström, Gino Briganti, Tim Butler, Andrea Cappelletti, Florian Couvidat, Massimo D'Isidoro, Thierno Doumbia, Hilde Fagerli, Claire Granier, Chris Heyes, Zig Klimont, Narendra Ojha, Noelia Otero, Martijn Schaap, Katarina Sindelarova, Annemiek I. Stegehuis, Yelva Roustan, Robert Vautard, Erik van Meijgaard, Marta Garcia Vivanco, and Peter Wind
Geosci. Model Dev., 10, 3255–3276, https://doi.org/10.5194/gmd-10-3255-2017, https://doi.org/10.5194/gmd-10-3255-2017, 2017
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The EURODELTA-Trends numerical experiment has been designed to assess the capability of chemistry-transport models to capture the evolution of surface air quality over the 1990–2010 period in Europe. It also includes sensitivity experiments in order to analyse the relative contribution of (i) emission changes, (ii) meteorological variability, and (iii) boundary conditions to air quality trends. The article is a detailed presentation of the experiment design and participating models.
Sylvain Mailler, Laurent Menut, Dmitry Khvorostyanov, Myrto Valari, Florian Couvidat, Guillaume Siour, Solène Turquety, Régis Briant, Paolo Tuccella, Bertrand Bessagnet, Augustin Colette, Laurent Létinois, Kostantinos Markakis, and Frédérik Meleux
Geosci. Model Dev., 10, 2397–2423, https://doi.org/10.5194/gmd-10-2397-2017, https://doi.org/10.5194/gmd-10-2397-2017, 2017
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CHIMERE is a chemistry-transport model initially designed for box-modelling of the regional atmospheric composition. In the recent years, CHIMERE has been extended to be able to model atmospheric composition at all scales from urban to hemispheric scale, which implied major changes on the coordinate systems as well as on physical processes. This study describes how and why these changes have been brought to the model, largely increasing the range of its possible use.
David O. Topping, James Allan, M. Rami Alfarra, and Bernard Aumont
Geosci. Model Dev., 10, 2365–2377, https://doi.org/10.5194/gmd-10-2365-2017, https://doi.org/10.5194/gmd-10-2365-2017, 2017
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Our ability to model the chemical and thermodynamic processes that lead to secondary organic aerosol (SOA) formation is thought to be hampered by the complexity of the system. In this proof of concept study, the ability to train supervised methods to predict electron impact ionisation (EI) mass spectra for the AMS is evaluated to facilitate improved model evaluation. The study demonstrates the use of a methodology that would be improved with more training data and data from simple mixed systems.
Camille Mouchel-Vallon, Laurent Deguillaume, Anne Monod, Hélène Perroux, Clémence Rose, Giovanni Ghigo, Yoann Long, Maud Leriche, Bernard Aumont, Luc Patryl, Patrick Armand, and Nadine Chaumerliac
Geosci. Model Dev., 10, 1339–1362, https://doi.org/10.5194/gmd-10-1339-2017, https://doi.org/10.5194/gmd-10-1339-2017, 2017
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The Cloud Explicit Physico-chemical Scheme (CLEPS 1.0) describes oxidation of water-soluble organic compounds resulting from isoprene oxidation. It is based on structure activity relationships (SARs) (global rate constants and branching ratios for HO• abstraction and addition) and GROMHE SAR (Henry's law constants for undocumented species). It is coupled to the MCM gas phase mechanism and is included in a model using the DSMACC model and KPP to analyze experimental and field data.
Laurent Menut, Sylvain Mailler, Bertrand Bessagnet, Guillaume Siour, Augustin Colette, Florian Couvidat, and Frédérik Meleux
Geosci. Model Dev., 10, 1199–1208, https://doi.org/10.5194/gmd-10-1199-2017, https://doi.org/10.5194/gmd-10-1199-2017, 2017
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A simple and complementary model evaluation technique for regional chemistry transport is discussed. The methodology is based on the concept that we can learn about model performance by comparing the simulation results with observational data available for time periods other than the period originally targeted.
Laurent Menut, Guillaume Siour, Sylvain Mailler, Florian Couvidat, and Bertrand Bessagnet
Atmos. Chem. Phys., 16, 12961–12982, https://doi.org/10.5194/acp-16-12961-2016, https://doi.org/10.5194/acp-16-12961-2016, 2016
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The aerosol is modelled during the summer 2013 with the WRF and CHIMERE models and over a large area encompassing Africa, Mediterranean sea and west Europe. The modelled aerosol is compared to available measurements such as the AERONET and EMEP networks. The model ability to estimate the aerosol speciation and size distribution is quantified.
Bertrand Bessagnet, Guido Pirovano, Mihaela Mircea, Cornelius Cuvelier, Armin Aulinger, Giuseppe Calori, Giancarlo Ciarelli, Astrid Manders, Rainer Stern, Svetlana Tsyro, Marta García Vivanco, Philippe Thunis, Maria-Teresa Pay, Augustin Colette, Florian Couvidat, Frédérik Meleux, Laurence Rouïl, Anthony Ung, Sebnem Aksoyoglu, José María Baldasano, Johannes Bieser, Gino Briganti, Andrea Cappelletti, Massimo D'Isidoro, Sandro Finardi, Richard Kranenburg, Camillo Silibello, Claudio Carnevale, Wenche Aas, Jean-Charles Dupont, Hilde Fagerli, Lucia Gonzalez, Laurent Menut, André S. H. Prévôt, Pete Roberts, and Les White
Atmos. Chem. Phys., 16, 12667–12701, https://doi.org/10.5194/acp-16-12667-2016, https://doi.org/10.5194/acp-16-12667-2016, 2016
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The EURODELTA III exercise allows a very comprehensive intercomparison and evaluation of air quality models' performance. On average, the models provide a rather good picture of the particulate matter (PM) concentrations over Europe even if the highest concentrations are underestimated. The meteorology is responsible for model discrepancies, while the lack of emissions, particularly in winter, is mentioned as the main reason for the underestimations of PM.
Vincent Lemaire, Isabelle Coll, Florian Couvidat, Camille Mouchel-Vallon, Christian Seigneur, and Guillaume Siour
Geosci. Model Dev., 9, 1361–1382, https://doi.org/10.5194/gmd-9-1361-2016, https://doi.org/10.5194/gmd-9-1361-2016, 2016
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Oligomerization is one of the most important identified processes of secondary organic aerosol evolution. We have simulated the formation of oligomers from biogenic precursors, using two different parameterizations implemented in the air quality model CHIMERE. This study shows that oligomer concentration fields are quite sensitive to the way the competition between local formation, evaporation and transport is restituted. The benefits and disadvantages of each approach are discussed in details.
Renee C. McVay, Xuan Zhang, Bernard Aumont, Richard Valorso, Marie Camredon, Yuyi S. La, Paul O. Wennberg, and John H. Seinfeld
Atmos. Chem. Phys., 16, 2785–2802, https://doi.org/10.5194/acp-16-2785-2016, https://doi.org/10.5194/acp-16-2785-2016, 2016
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Secondary organic aerosol (SOA) affects climate change, human health, and cloud formation. We examine SOA formation from the biogenic hydrocarbon α-pinene and observe unexpected experimental results that run contrary to model predictions. Various processes are explored via modeling to rationalize the observations. The paper identifies the importance of further constraining via experiments various steps in the chemical mechanism in order to accurately predict SOA worldwide.
David Topping, Mark Barley, Michael K. Bane, Nicholas Higham, Bernard Aumont, Nicholas Dingle, and Gordon McFiggans
Geosci. Model Dev., 9, 899–914, https://doi.org/10.5194/gmd-9-899-2016, https://doi.org/10.5194/gmd-9-899-2016, 2016
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In this paper we describe the development and application of a new web-based and open-source facility, UManSysProp (http://umansysprop .seaes.manchester.ac.uk), for automating predictions of molecular and atmospheric aerosol properties. Current facilities include pure component vapour pressures, critical properties, and sub-cooled densities of organic molecules; activity coefficient predictions for mixed inorganic-organic liquid systems; hygroscopic growth factors and CCN activation potential.
Y. S. La, M. Camredon, P. J. Ziemann, R. Valorso, A. Matsunaga, V. Lannuque, J. Lee-Taylor, A. Hodzic, S. Madronich, and B. Aumont
Atmos. Chem. Phys., 16, 1417–1431, https://doi.org/10.5194/acp-16-1417-2016, https://doi.org/10.5194/acp-16-1417-2016, 2016
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The potential impact of chamber walls on the loss of gaseous organic species and secondary organic aerosol (SOA) formation has been explored using the GECKO-A modeling tool, which explicitly represents SOA formation and gas-wall partitioning. The model was compared with 41 smog chamber experiments of SOA formation under OH oxidation of alkane and alkene serie. The organic vapor loss to the chamber walls is found to affect SOA yields as well as the composition of the gas and the particle phase.
S. Mailler, L. Menut, A. G. di Sarra, S. Becagli, T. Di Iorio, B. Bessagnet, R. Briant, P. Formenti, J.-F. Doussin, J. L. Gómez-Amo, M. Mallet, G. Rea, G. Siour, D. M. Sferlazzo, R. Traversi, R. Udisti, and S. Turquety
Atmos. Chem. Phys., 16, 1219–1244, https://doi.org/10.5194/acp-16-1219-2016, https://doi.org/10.5194/acp-16-1219-2016, 2016
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We studied the impact of aerosols on tropospheric photolysis rates at Lampedusa during the CharMEx/ADRIMED campaign in June 2013. It is shown by using the CHIMERE chemistry-transport model (CTM) as well as in situ and remote-sensing measurements that taking into account the radiative effect of the tropospheric aerosols improves the ability of the model to reproduce the observed photolysis rates. It is hence important for CTMs to include the radiative effect of aerosols on photochemistry.
J. C. Péré, B. Bessagnet, V. Pont, M. Mallet, and F. Minvielle
Atmos. Chem. Phys., 15, 10983–10998, https://doi.org/10.5194/acp-15-10983-2015, https://doi.org/10.5194/acp-15-10983-2015, 2015
V. Marécal, V.-H. Peuch, C. Andersson, S. Andersson, J. Arteta, M. Beekmann, A. Benedictow, R. Bergström, B. Bessagnet, A. Cansado, F. Chéroux, A. Colette, A. Coman, R. L. Curier, H. A. C. Denier van der Gon, A. Drouin, H. Elbern, E. Emili, R. J. Engelen, H. J. Eskes, G. Foret, E. Friese, M. Gauss, C. Giannaros, J. Guth, M. Joly, E. Jaumouillé, B. Josse, N. Kadygrov, J. W. Kaiser, K. Krajsek, J. Kuenen, U. Kumar, N. Liora, E. Lopez, L. Malherbe, I. Martinez, D. Melas, F. Meleux, L. Menut, P. Moinat, T. Morales, J. Parmentier, A. Piacentini, M. Plu, A. Poupkou, S. Queguiner, L. Robertson, L. Rouïl, M. Schaap, A. Segers, M. Sofiev, L. Tarasson, M. Thomas, R. Timmermans, Á. Valdebenito, P. van Velthoven, R. van Versendaal, J. Vira, and A. Ung
Geosci. Model Dev., 8, 2777–2813, https://doi.org/10.5194/gmd-8-2777-2015, https://doi.org/10.5194/gmd-8-2777-2015, 2015
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This paper describes the air quality forecasting system over Europe put in place in the Monitoring Atmospheric Composition and Climate projects. It provides daily and 4-day forecasts and analyses for the previous day for major gas and particulate pollutants and their main precursors. These products are based on a multi-model approach using seven state-of-the-art models developed in Europe. An evaluation of the performance of the system is discussed in the paper.
A. Hodzic, S. Madronich, P. S. Kasibhatla, G. Tyndall, B. Aumont, J. L. Jimenez, J. Lee-Taylor, and J. Orlando
Atmos. Chem. Phys., 15, 9253–9269, https://doi.org/10.5194/acp-15-9253-2015, https://doi.org/10.5194/acp-15-9253-2015, 2015
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Our study combines process and global chemistry modeling to investigate the potential effect of gas- and particle-phase organic photolysis reactions on the formation and lifetime of secondary organic aerosols (SOAs). Photolysis of the oxidation intermediates that partition between gas and particle phases to form SOA is not included in 3D models. Our results suggest that exposure to UV light can suppress the formation of SOA or even lead to its substantial loss (comparable to wet deposition).
L. Menut, S. Mailler, G. Siour, B. Bessagnet, S. Turquety, G. Rea, R. Briant, M. Mallet, J. Sciare, P. Formenti, and F. Meleux
Atmos. Chem. Phys., 15, 6159–6182, https://doi.org/10.5194/acp-15-6159-2015, https://doi.org/10.5194/acp-15-6159-2015, 2015
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The ozone and aerosol concentration variability is studied over the Euro-Mediterranean area during the months of June and July 2013 and in the framework of the ADRIMED project. A first analysis is performed using meteorological variables, ozone and aerosol concentrations using routine network station, satellite and specific ADRIMED project airborne measurements. This analysis is complemented by modeling using the WRF and CHIMERE regional models.
F. Couvidat and K. Sartelet
Geosci. Model Dev., 8, 1111–1138, https://doi.org/10.5194/gmd-8-1111-2015, https://doi.org/10.5194/gmd-8-1111-2015, 2015
G. Kiesewetter, J. Borken-Kleefeld, W. Schöpp, C. Heyes, P. Thunis, B. Bessagnet, E. Terrenoire, H. Fagerli, A. Nyiri, and M. Amann
Atmos. Chem. Phys., 15, 1539–1553, https://doi.org/10.5194/acp-15-1539-2015, https://doi.org/10.5194/acp-15-1539-2015, 2015
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We describe the multi-stage approach applied in the GAINS model to assess compliance with PM10 limit values at more than 1850 individual air quality monitoring stations in Europe. We analyse source contributions to ambient concentrations and the implications of future policy choices on air quality for 2030. While current legislation does not solve compliance issues, problems are largely eliminated by EU-wide adoption of the best available emission control technology.
C. Denjean, P. Formenti, B. Picquet-Varrault, M. Camredon, E. Pangui, P. Zapf, Y. Katrib, C. Giorio, A. Tapparo, B. Temime-Roussel, A. Monod, B. Aumont, and J. F. Doussin
Atmos. Chem. Phys., 15, 883–897, https://doi.org/10.5194/acp-15-883-2015, https://doi.org/10.5194/acp-15-883-2015, 2015
J. Lee-Taylor, A. Hodzic, S. Madronich, B. Aumont, M. Camredon, and R. Valorso
Atmos. Chem. Phys., 15, 595–615, https://doi.org/10.5194/acp-15-595-2015, https://doi.org/10.5194/acp-15-595-2015, 2015
E. Terrenoire, B. Bessagnet, L. Rouïl, F. Tognet, G. Pirovano, L. Létinois, M. Beauchamp, A. Colette, P. Thunis, M. Amann, and L. Menut
Geosci. Model Dev., 8, 21–42, https://doi.org/10.5194/gmd-8-21-2015, https://doi.org/10.5194/gmd-8-21-2015, 2015
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The model reproduces the temporal variability of NO2, O3, PM10, PM2.5 better at rural than urban background stations.
The fractional biases show that the model performs slightly better at RB sites than at UB sites for NO2, O3 and PM10.
At UB sites, CHIMERE reproduces PM2.5 better than PM10.
This is primarily the result of an underestimation of coarse particulate matter (PM) associated with uncertainties on SOA chemistry and their precursor emissions, dust and sea salt.
L. Menut, S. Mailler, G. Siour, B. Bessagnet, S. Turquety, G. Rea, R. Briant, M. Mallet, J. Sciare, and P. Formenti
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acpd-14-23075-2014, https://doi.org/10.5194/acpd-14-23075-2014, 2014
Revised manuscript not accepted
K. L. Pereira, J. F. Hamilton, A. R. Rickard, W. J. Bloss, M. S. Alam, M. Camredon, A. Muñoz, M. Vázquez, E. Borrás, and M. Ródenas
Atmos. Chem. Phys., 14, 5349–5368, https://doi.org/10.5194/acp-14-5349-2014, https://doi.org/10.5194/acp-14-5349-2014, 2014
S. Turquety, L. Menut, B. Bessagnet, A. Anav, N. Viovy, F. Maignan, and M. Wooster
Geosci. Model Dev., 7, 587–612, https://doi.org/10.5194/gmd-7-587-2014, https://doi.org/10.5194/gmd-7-587-2014, 2014
V. Michoud, A. Colomb, A. Borbon, K. Miet, M. Beekmann, M. Camredon, B. Aumont, S. Perrier, P. Zapf, G. Siour, W. Ait-Helal, C. Afif, A. Kukui, M. Furger, J. C. Dupont, M. Haeffelin, and J. F. Doussin
Atmos. Chem. Phys., 14, 2805–2822, https://doi.org/10.5194/acp-14-2805-2014, https://doi.org/10.5194/acp-14-2805-2014, 2014
J. C. Péré, B. Bessagnet, M. Mallet, F. Waquet, I. Chiapello, F. Minvielle, V. Pont, and L. Menut
Atmos. Chem. Phys., 14, 1999–2013, https://doi.org/10.5194/acp-14-1999-2014, https://doi.org/10.5194/acp-14-1999-2014, 2014
A. Colette, B. Bessagnet, F. Meleux, E. Terrenoire, and L. Rouïl
Geosci. Model Dev., 7, 203–210, https://doi.org/10.5194/gmd-7-203-2014, https://doi.org/10.5194/gmd-7-203-2014, 2014
G. Kiesewetter, J. Borken-Kleefeld, W. Schöpp, C. Heyes, P. Thunis, B. Bessagnet, E. Terrenoire, A. Gsella, and M. Amann
Atmos. Chem. Phys., 14, 813–829, https://doi.org/10.5194/acp-14-813-2014, https://doi.org/10.5194/acp-14-813-2014, 2014
A. Colette, B. Bessagnet, R. Vautard, S. Szopa, S. Rao, S. Schucht, Z. Klimont, L. Menut, G. Clain, F. Meleux, G. Curci, and L. Rouïl
Atmos. Chem. Phys., 13, 7451–7471, https://doi.org/10.5194/acp-13-7451-2013, https://doi.org/10.5194/acp-13-7451-2013, 2013
L. Menut, B. Bessagnet, D. Khvorostyanov, M. Beekmann, N. Blond, A. Colette, I. Coll, G. Curci, G. Foret, A. Hodzic, S. Mailler, F. Meleux, J.-L. Monge, I. Pison, G. Siour, S. Turquety, M. Valari, R. Vautard, and M. G. Vivanco
Geosci. Model Dev., 6, 981–1028, https://doi.org/10.5194/gmd-6-981-2013, https://doi.org/10.5194/gmd-6-981-2013, 2013
Q. J. Zhang, M. Beekmann, F. Drewnick, F. Freutel, J. Schneider, M. Crippa, A. S. H. Prevot, U. Baltensperger, L. Poulain, A. Wiedensohler, J. Sciare, V. Gros, A. Borbon, A. Colomb, V. Michoud, J.-F. Doussin, H. A. C. Denier van der Gon, M. Haeffelin, J.-C. Dupont, G. Siour, H. Petetin, B. Bessagnet, S. N. Pandis, A. Hodzic, O. Sanchez, C. Honoré, and O. Perrussel
Atmos. Chem. Phys., 13, 5767–5790, https://doi.org/10.5194/acp-13-5767-2013, https://doi.org/10.5194/acp-13-5767-2013, 2013
E. Solazzo, R. Bianconi, G. Pirovano, M. D. Moran, R. Vautard, C. Hogrefe, K. W. Appel, V. Matthias, P. Grossi, B. Bessagnet, J. Brandt, C. Chemel, J. H. Christensen, R. Forkel, X. V. Francis, A. B. Hansen, S. McKeen, U. Nopmongcol, M. Prank, K. N. Sartelet, A. Segers, J. D. Silver, G. Yarwood, J. Werhahn, J. Zhang, S. T. Rao, and S. Galmarini
Geosci. Model Dev., 6, 791–818, https://doi.org/10.5194/gmd-6-791-2013, https://doi.org/10.5194/gmd-6-791-2013, 2013
C. Mouchel-Vallon, P. Bräuer, M. Camredon, R. Valorso, S. Madronich, H. Herrmann, and B. Aumont
Atmos. Chem. Phys., 13, 1023–1037, https://doi.org/10.5194/acp-13-1023-2013, https://doi.org/10.5194/acp-13-1023-2013, 2013
V. Michoud, A. Kukui, M. Camredon, A. Colomb, A. Borbon, K. Miet, B. Aumont, M. Beekmann, R. Durand-Jolibois, S. Perrier, P. Zapf, G. Siour, W. Ait-Helal, N. Locoge, S. Sauvage, C. Afif, V. Gros, M. Furger, G. Ancellet, and J. F. Doussin
Atmos. Chem. Phys., 12, 11951–11974, https://doi.org/10.5194/acp-12-11951-2012, https://doi.org/10.5194/acp-12-11951-2012, 2012
S. Stromatas, S. Turquety, L. Menut, H. Chepfer, J. C. Péré, G. Cesana, and B. Bessagnet
Geosci. Model Dev., 5, 1543–1564, https://doi.org/10.5194/gmd-5-1543-2012, https://doi.org/10.5194/gmd-5-1543-2012, 2012
Related subject area
Subject: Aerosols | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Population exposure to outdoor NO2, black carbon, and ultrafine and fine particles over Paris with multi-scale modelling down to the street scale
Predicted impacts of heterogeneous chemical pathways on particulate sulfur over Fairbanks (Alaska), the Northern Hemisphere, and the Contiguous United States
Critical load exceedances for North America and Europe using an ensemble of models and an investigation of causes of environmental impact estimate variability: an AQMEII4 study
Impacts of meteorology and emission reductions on haze pollution during the lockdown in the North China Plain
Impact of mineral dust on the global nitrate aerosol direct and indirect radiative effect
The surface tension and cloud condensation nuclei (CCN) activation of sea spray aerosol particles
Exploring the processes controlling secondary inorganic aerosol: evaluating the global GEOS-Chem simulation using a suite of aircraft campaigns
Influence of land cover change on atmospheric organic gases, aerosols, and radiative effects
Quantifying the impacts of marine aerosols over the southeast Atlantic Ocean using a chemical transport model: implications for aerosol–cloud interactions
Quantifying the impact of global nitrate aerosol on tropospheric composition fields and its production from lightning NOx
Driving factors of aerosol acidity: a new hierarchical quantitative analysis framework and its application in Changzhou, China
Understanding the Long-term Trend of Organic Aerosol and the Influences from Anthropogenic Emission and Regional Climate Change in China
Rapid oxidation of phenolic compounds by O3 and HO●: effects of the air–water interface and mineral dust in tropospheric chemical processes
Uncertainties in the effects of organic aerosol coatings on polycyclic aromatic hydrocarbon concentrations and their estimated health effects
Modeling the contribution of leads to sea spray aerosol in the high Arctic
Trends and Drivers of Soluble Iron Deposition from East Asian Dust to the Northwest Pacific: A Springtime Analysis (2001–2017)
Impacts of Sea Ice Leads on Sea Salt Aerosols and Atmospheric Chemistry in the Arctic
Implications of Reduced-Complexity Aerosol Thermodynamics on Organic Aerosol Mass Concentration and Composition over North America
Importance of aerosol composition and aerosol vertical profiles in global spatial variation in the relationship between PM2.5 and aerosol optical depth
Dimethyl sulfide chemistry over the industrial era: comparison of key oxidation mechanisms and long-term observations
The co-benefits of a low-carbon future for PM2.5 and O3 air pollution in Europe
Assessing the effectiveness of SO2, NOx, and NH3 emission reductions in mitigating winter PM2.5 in Taiwan using CMAQ
Modelling of atmospheric concentrations of fungal spores: a 2-year simulation over France using CHIMERE
Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling
A Comprehensive Global Modelling Assessment of Nitrate Heterogeneous Formation on Desert Dust
Modelling of atmospheric variability of gas and aerosols during the ACROSS campaign 2022 in the greater Paris area: evaluation of the meteorology, dynamics and chemistry
Observed and CMIP6-model-simulated organic aerosol response to drought in the contiguous United States during summertime
Long-term trends in aerosol properties derived from AERONET measurements
Cooling radiative forcing effect enhancement of atmospheric amines and mineral particles caused by heterogeneous uptake and oxidation
Source-resolved atmospheric metal emissions, concentrations, and deposition fluxes into the East Asian seas
Analysis of secondary inorganic aerosols over the greater Athens area using the EPISODE–CityChem source dispersion and photochemistry model
Global estimates of ambient reactive nitrogen components during 2000–2100 based on the multi-stage model
The role of naphthalene and its derivatives in the formation of secondary organic aerosol in the Yangtze River Delta region, China
Unveiling the optimal regression model for source apportionment of the oxidative potential of PM10
AERO-MAP: A data compilation and modelling approach to understand spatial variability in fine and coarse mode aerosol composition
Investigating the contribution of grown new particles to cloud condensation nuclei with largely varying preexisting particles – Part 2: Modeling chemical drivers and 3-D new particle formation occurrence
Technical note: Influence of different averaging metrics and temporal resolutions on the aerosol pH calculated by thermodynamic modeling
Dual roles of the inorganic aqueous phase on secondary organic aerosol growth from benzene and phenol
Global source apportionment of aerosols into major emission regions and sectors over 1850–2017
Modeling atmospheric brown carbon in the GISS ModelE Earth system model
Observation-constrained kinetic modeling of isoprene SOA formation in the atmosphere
Significant impact of urban tree biogenic emissions on air quality estimated by a bottom-up inventory and chemistry transport modeling
Secondary organic aerosols derived from intermediate-volatility n-alkanes adopt low-viscous phase state
Spatial-temporal patterns of anthropogenic and biomass burning contributions on air pollution and mortality burden changes in India from 1995 to 2014
Modeling the drivers of fine PM pollution over Central Europe: impacts and contributions of emissions from different sources
Reaction of SO3 with H2SO4 and its implications for aerosol particle formation in the gas phase and at the air–water interface
Weakened aerosol–radiation interaction exacerbating ozone pollution in eastern China since China's clean air actions
Uncertainties from biomass burning aerosols in air quality models obscure public health impacts in Southeast Asia
Oxidative potential apportionment of atmospheric PM1: a new approach combining high-sensitive online analysers for chemical composition and offline OP measurement technique
Aqueous-phase chemistry of glyoxal with multifunctional reduced nitrogen compounds: a potential missing route for secondary brown carbon
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.
Sara L. Farrell, Havala O. T. Pye, Robert Gilliam, George Pouliot, Deanna Huff, Golam Sarwar, William Vizuete, Nicole Briggs, Fengkui Duan, Tao Ma, Shuping Zhang, and Kathleen Fahey
Atmos. Chem. Phys., 25, 3287–3312, https://doi.org/10.5194/acp-25-3287-2025, https://doi.org/10.5194/acp-25-3287-2025, 2025
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In this work we implement heterogeneous sulfur chemistry into the Community Multiscale Air Quality (CMAQ) model. This new chemistry accounts for the formation of sulfate via aqueous oxidation of SO2 in aerosol liquid water and the formation of hydroxymethanesulfonate (HMS) – often confused by measurement techniques as sulfate. Model performance in predicting sulfur PM2.5 in Fairbanks, Alaska, and other places that experience dark and cold winters is improved.
Paul A. Makar, Philip Cheung, Christian Hogrefe, Ayodeji Akingunola, Ummugulsum Alyuz, Jesse O. Bash, Michael D. Bell, Roberto Bellasio, Roberto Bianconi, Tim Butler, Hazel Cathcart, Olivia E. Clifton, Alma Hodzic, Ioannis Kioutsioukis, Richard Kranenburg, Aurelia Lupascu, Jason A. Lynch, Kester Momoh, Juan L. Perez-Camanyo, Jonathan Pleim, Young-Hee Ryu, Roberto San Jose, Donna Schwede, Thomas Scheuschner, Mark W. Shephard, Ranjeet S. Sokhi, and Stefano Galmarini
Atmos. Chem. Phys., 25, 3049–3107, https://doi.org/10.5194/acp-25-3049-2025, https://doi.org/10.5194/acp-25-3049-2025, 2025
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The large range of sulfur and nitrogen deposition estimates from air quality models results in a large range of predicted impacts. We used models and deposition diagnostics to identify the processes controlling atmospheric sulfur and nitrogen deposition variability. Controlling factors included the uptake of gases and aerosols by hydrometeors, aerosol inorganic chemistry, particle dry deposition, ammonia bidirectional fluxes, gas deposition via plant cuticles and soil, and land use data.
Lang Liu, Xin Long, Yi Li, Zengliang Zang, Fengwen Wang, Yan Han, Zhier Bao, Yang Chen, Tian Feng, and Jinxin Yang
Atmos. Chem. Phys., 25, 1569–1585, https://doi.org/10.5194/acp-25-1569-2025, https://doi.org/10.5194/acp-25-1569-2025, 2025
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This study uses WRF-Chem to assess how meteorological conditions and emission reductions affected fine particulate matter (PM2.5) in the North China Plain (NCP). It highlights regional disparities: in the northern NCP, adverse weather negated emission reduction effects. In contrast, the southern NCP featured a PM2.5 decrease due to favorable weather and emission reductions. The research highlighted the interaction between emissions, meteorology, and PM2.5.
Alexandros Milousis, Klaus Klingmüller, Alexandra P. Tsimpidi, Jasper F. Kok, Maria Kanakidou, Athanasios Nenes, and Vlassis A. Karydis
Atmos. Chem. Phys., 25, 1333–1351, https://doi.org/10.5194/acp-25-1333-2025, https://doi.org/10.5194/acp-25-1333-2025, 2025
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This study investigates the impact of dust on the global radiative effect of nitrate aerosols. The results indicate both positive and negative regional shortwave and longwave radiative effects due to aerosol–radiation interactions and cloud adjustments. The global average net REari and REaci of nitrate aerosols are −0.11 and +0.17 W m−2, respectively, mainly affecting the shortwave spectrum. Sensitivity simulations evaluated the influence of mineral dust composition and emissions on the results.
Judith Kleinheins, Nadia Shardt, Ulrike Lohmann, and Claudia Marcolli
Atmos. Chem. Phys., 25, 881–903, https://doi.org/10.5194/acp-25-881-2025, https://doi.org/10.5194/acp-25-881-2025, 2025
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We model the cloud condensation nuclei (CCN) activation of sea spray aerosol particles with classical Köhler theory and with a new model approach that takes surface tension lowering into account. We categorize organic compounds into weak, intermediate, and strong surfactants, and we outline for which composition surface tension lowering is important. The results suggest that surface tension lowering allows sea spray aerosol particles in the Aitken mode to be a source of CCN in marine updraughts.
Olivia G. Norman, Colette L. Heald, Solomon Bililign, Pedro Campuzano-Jost, Hugh Coe, Marc N. Fiddler, Jaime R. Green, Jose L. Jimenez, Katharina Kaiser, Jin Liao, Ann M. Middlebrook, Benjamin A. Nault, John B. Nowak, Johannes Schneider, and André Welti
Atmos. Chem. Phys., 25, 771–795, https://doi.org/10.5194/acp-25-771-2025, https://doi.org/10.5194/acp-25-771-2025, 2025
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This study finds that one component of secondary inorganic aerosols, nitrate, is greatly overestimated by a global atmospheric chemistry model compared to observations from 11 flight campaigns. None of the loss and production pathways explored can explain the nitrate bias alone. The model’s inability to capture the variability in the observations remains and requires future investigation to avoid biases in policy-related studies (i.e., air quality, health, climate impacts of these aerosols).
Ryan Vella, Matthew Forrest, Andrea Pozzer, Alexandra P. Tsimpidi, Thomas Hickler, Jos Lelieveld, and Holger Tost
Atmos. Chem. Phys., 25, 243–262, https://doi.org/10.5194/acp-25-243-2025, https://doi.org/10.5194/acp-25-243-2025, 2025
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This study examines how land cover changes influence biogenic volatile organic compound (BVOC) emissions and atmospheric states. Using a coupled chemistry–climate–vegetation model, we compare present-day land cover (deforested for crops and grazing) with natural vegetation and an extreme reforestation scenario. We find that vegetation changes significantly impact global BVOC emissions and organic aerosols but have a relatively small effect on total aerosols, clouds, and radiative effects.
Mashiat Hossain, Rebecca M. Garland, and Hannah M. Horowitz
Atmos. Chem. Phys., 24, 14123–14143, https://doi.org/10.5194/acp-24-14123-2024, https://doi.org/10.5194/acp-24-14123-2024, 2024
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Our research examines aerosol dynamics over the southeast Atlantic, a region with significant uncertainties in aerosol radiative forcings. Using the GEOS-Chem model, we find that at cloud altitudes, organic aerosols dominate during the biomass burning season, while sulfate aerosols, driven by marine emissions, prevail during peak primary production. These findings highlight the need for accurate representation of marine aerosols in models to improve climate predictions and reduce uncertainties.
Ashok K. Luhar, Anthony C. Jones, and Jonathan M. Wilkinson
Atmos. Chem. Phys., 24, 14005–14028, https://doi.org/10.5194/acp-24-14005-2024, https://doi.org/10.5194/acp-24-14005-2024, 2024
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Nitrate aerosol is often omitted in global chemistry–climate models, partly due to the chemical complexity of its formation process. Using a global model, we show that including nitrate aerosol significantly impacts tropospheric composition fields, such as ozone, and radiation. Additionally, lightning-generated oxides of nitrogen influence both nitrate aerosol mass concentrations and aerosol size distribution, which has important implications for radiative fluxes and indirect aerosol effects.
Xiaolin Duan, Guangjie Zheng, Chuchu Chen, Qiang Zhang, and Kebin He
EGUsphere, https://doi.org/10.5194/egusphere-2024-3584, https://doi.org/10.5194/egusphere-2024-3584, 2024
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Aerosol acidity is an important parameter in atmospheric chemistry, while its driving factors, especially chemical profiles versus meteorological conditions, are not yet fully understood. Here, we established a hierarchical quantitative analysis framework to understand the driving factors of aerosol acidity on different time scales. Its application in Changzhou, China revealed distinct driving factors and corresponding mechanisms of aerosol acidity from annual trends to random residues.
Wenxin Zhang, Yaman Liu, Man Yue, Xinyi Dong, and Minghuai Wang
EGUsphere, https://doi.org/10.5194/egusphere-2024-3420, https://doi.org/10.5194/egusphere-2024-3420, 2024
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Understanding long-term organic aerosols (OA) trends and their driving factors is important for air quality management. Our modeling revealed that OA in China increased by 5.6% from 1990 to 2019, primarily due to a 32.3% increase in secondary organic aerosols (SOA) and an 8.1% decrease in primary organic aerosols (POA), both largely driven by changes in anthropogenic emissions. Biogenic SOA increased due to warming but showed little response to changes in anthropogenic nitrogen oxide emissions.
Yanru Huo, Mingxue Li, Xueyu Wang, Jianfei Sun, Yuxin Zhou, Yuhui Ma, and Maoxia He
Atmos. Chem. Phys., 24, 12409–12423, https://doi.org/10.5194/acp-24-12409-2024, https://doi.org/10.5194/acp-24-12409-2024, 2024
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This work found that the air–water (A–W) interface and TiO2 clusters promote the oxidation of phenolic compounds (PhCs) to varying degrees compared with the gas phase and bulk water. Some byproducts are more harmful than their parent compounds. This work provides important evidence for the rapid oxidation observed in O3/HO• + PhC experiments at the A–W interface and in mineral dust.
Sijia Lou, Manish Shrivastava, Alexandre Albinet, Sophie Tomaz, Deepchandra Srivastava, Olivier Favez, Huizhong Shen, and Aijun Ding
EGUsphere, https://doi.org/10.5194/egusphere-2024-3269, https://doi.org/10.5194/egusphere-2024-3269, 2024
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PAHs, emitted from incomplete combustion, pose serious health risks due to their carcinogenic properties. This research demonstrates that viscous organic aerosol coatings significantly hinder PAH oxidation, with spatial distributions sensitive to the degradation modelling approach. Our findings underscore the importance of accurately modelling these processes for risk assessments, highlighting the need to consider both fresh and oxidized PAHs in evaluating human exposure and health risks.
Rémy Lapere, Louis Marelle, Pierre Rampal, Laurent Brodeau, Christian Melsheimer, Gunnar Spreen, and Jennie L. Thomas
Atmos. Chem. Phys., 24, 12107–12132, https://doi.org/10.5194/acp-24-12107-2024, https://doi.org/10.5194/acp-24-12107-2024, 2024
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Elongated open-water areas in sea ice, called leads, can release marine aerosols into the atmosphere. In the Arctic, this source of atmospheric particles could play an important role for climate. However, the amount, seasonality and spatial distribution of such emissions are all mostly unknown. Here, we propose a first parameterization for sea spray aerosols emitted through leads in sea ice and quantify their impact on aerosol populations in the high Arctic.
Hanzheng Zhu, Yaman Liu, Man Yue, Shihui Feng, Pingqing Fu, Kan Huang, Xinyi Dong, and Minghuai Wang
EGUsphere, https://doi.org/10.5194/egusphere-2024-2293, https://doi.org/10.5194/egusphere-2024-2293, 2024
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Dust soluble iron deposition from East Asia plays an important role in the marine ecology of the Northwest Pacific. Using the developed model, our findings highlight a dual trend: a decrease in the overall deposition of soluble iron from dust, but an increase in the solubility of the iron itself due to the enhanced atmospheric processing. It underscores the critical roles of both dust emission and atmospheric processing in soluble iron deposition and marine ecology.
Erin Emme and Hannah Horowitz
EGUsphere, https://doi.org/10.5194/egusphere-2024-3147, https://doi.org/10.5194/egusphere-2024-3147, 2024
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There is uncertainty in the sources of Arctic cold season (November-April) sea salt aerosols. Using a chemical transport model and satellite observations, we quantify Arctic-wide sea salt aerosol emissions from fractures in sea ice, called open sea ice leads, and their atmospheric chemistry impacts for the cold season. We show sea ice leads contribute to Arctic sea salt aerosols and bromine, especially in under-observed regions.
Camilo Serrano Damha, Kyle Gorkowski, and Andreas Zuend
EGUsphere, https://doi.org/10.5194/egusphere-2024-2712, https://doi.org/10.5194/egusphere-2024-2712, 2024
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Organic aerosol water content impacts the gas–particle partitioning of semivolatile organics. We used an aerosol thermodynamic model in the GEOS-Chem chemical transport model to efficiently account for organic aerosol water uptake and nonideal mixing. This led to a substantial enhancement in mean organic aerosol mass concentration with respect to GEOS-Chem's most advanced scheme. The water-sensitive scheme could be a valuable tool for reconciling model estimations and field measurements.
Haihui Zhu, Randall V. Martin, Aaron van Donkelaar, Melanie S. Hammer, Chi Li, Jun Meng, Christopher R. Oxford, Xuan Liu, Yanshun Li, Dandan Zhang, Inderjeet Singh, and Alexei Lyapustin
Atmos. Chem. Phys., 24, 11565–11584, https://doi.org/10.5194/acp-24-11565-2024, https://doi.org/10.5194/acp-24-11565-2024, 2024
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Ambient fine particulate matter (PM2.5) contributes to 4 million deaths globally each year. Satellite remote sensing of aerosol optical depth (AOD), coupled with a simulated PM2.5–AOD relationship (η), can provide global PM2.5 estimations. This study aims to understand the spatial patterns and driving factors of η to guide future measurement and modeling efforts. We quantified η globally and regionally and found that its spatial variation is strongly influenced by aerosol composition.
Ursula A. Jongebloed, Jacob I. Chalif, Linia Tashmim, William C. Porter, Kelvin H. Bates, Qianjie Chen, Erich C. Osterberg, Bess G. Koffman, Jihong Cole-Dai, Dominic A. Winksi, David G. Ferris, Karl J. Kreutz, Cameron P. Wake, and Becky Alexander
EGUsphere, https://doi.org/10.5194/egusphere-2024-3026, https://doi.org/10.5194/egusphere-2024-3026, 2024
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Marine phytoplankton emit dimethyl sulfide (DMS), which forms methanesulfonic acid (MSA) and sulfate. MSA concentrations in ice cores decreased over the industrial era, which has been attributed to pollution-driven changes in DMS chemistry. We use a models to investigate DMS chemistry compared to observations of DMS, MSA, and sulfate. We find that modeled DMS, MSA, and sulfate are influenced by pollution-sensitive oxidant concentrations, characterization of DMS chemistry, and other variables.
Connor J. Clayton, Daniel R. Marsh, Steven T. Turnock, Ailish M. Graham, Kirsty J. Pringle, Carly L. Reddington, Rajesh Kumar, and James B. McQuaid
Atmos. Chem. Phys., 24, 10717–10740, https://doi.org/10.5194/acp-24-10717-2024, https://doi.org/10.5194/acp-24-10717-2024, 2024
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We demonstrate that strong climate mitigation could improve air quality in Europe; however, less ambitious mitigation does not result in these co-benefits. We use a high-resolution atmospheric chemistry model. This allows us to demonstrate how this varies across European countries and analyse the underlying chemistry. This may help policy-facing researchers understand which sectors and regions need to be prioritised to achieve strong air quality co-benefits of climate mitigation.
Ping-Chieh Huang, Hui-Ming Hung, Hsin-Chih Lai, and Charles C.-K. Chou
Atmos. Chem. Phys., 24, 10759–10772, https://doi.org/10.5194/acp-24-10759-2024, https://doi.org/10.5194/acp-24-10759-2024, 2024
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Models were used to study ways to reduce particulate matter (PM) pollution in Taiwan during winter. After considering various factors, such as physical processes and chemical reactions, we found that reducing NOx or NH3 emissions is more effective at mitigating PM2.5 than reducing SO2 emissions. When considering both efficiency and cost, reducing NH3 emissions seems to be a more suitable policy for the studied environment in Taiwan.
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.
Jiewen Shen, Bin Zhao, Shuxiao Wang, An Ning, Yuyang Li, Runlong Cai, Da Gao, Biwu Chu, Yang Gao, Manish Shrivastava, Jingkun Jiang, Xiuhui Zhang, and Hong He
Atmos. Chem. Phys., 24, 10261–10278, https://doi.org/10.5194/acp-24-10261-2024, https://doi.org/10.5194/acp-24-10261-2024, 2024
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We extensively compare various cluster-dynamics-based parameterizations for sulfuric acid–dimethylamine nucleation and identify a newly developed parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations as being the most reliable one. This study offers a valuable reference for developing parameterizations of other nucleation systems and is meaningful for the accurate quantification of the environmental and climate impacts of new particle formation.
Rubén Soussé-Villa, Oriol Jorba, María Gonçalves Ageitos, Dene Bowdalo, Marc Guevara, and Carlos Pérez García-Pando
EGUsphere, https://doi.org/10.5194/egusphere-2024-2310, https://doi.org/10.5194/egusphere-2024-2310, 2024
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Desert dust forms nitrate coatings as it travels through the atmosphere. However, current models that predict this process vary greatly due to different methods and inaccuracies. We examined how nitrate forms in a global model, focusing on how gases condense on dust, the lifespan of different particles, and the impact of alkalinity. Our findings show that models work best when they consider reversible gas condensation with alkalinity. This should lead to better estimates of climate impacts.
Ludovico Di Antonio, Matthias Beekmann, Guillaume Siour, Vincent Michoud, Christopher Cantrell, Astrid Bauville, Antonin Bergé, Mathieu Cazaunau, Servanne Chevaillier, Manuela Cirtog, Joel F. de Brito, Paola Formenti, Cecile Gaimoz, Olivier Garret, Aline Gratien, Valérie Gros, Martial Haeffelin, Lelia N. Hawkins, Simone Kotthaus, Gael Noyalet, Diana Pereira, Jean-Eudes Petit, Eva Drew Pronovost, Véronique Riffault, Chenjie Yu, Gilles Foret, Jean-François Doussin, and Claudia Di Biagio
EGUsphere, https://doi.org/10.5194/egusphere-2024-2175, https://doi.org/10.5194/egusphere-2024-2175, 2024
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Summer 2022 has been considered a proxy for future climate scenarios, given the registered hot and dry conditions. In this paper, we used the measurements from the ACROSS campaign, occurred over the Paris area in June–July 2022, in addition to observations from existing networks, to evaluate the WRF–CHIMERE model simulation over France and the Ile-de-France regions. Results over the Ile–de–France show to be satisfactory, allowing to explain the gas and aerosol variability at the ACROSS sites.
Wei Li and Yuxuan Wang
Atmos. Chem. Phys., 24, 9339–9353, https://doi.org/10.5194/acp-24-9339-2024, https://doi.org/10.5194/acp-24-9339-2024, 2024
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Droughts immensely increased organic aerosol (OA) in the contiguous United States in summer (1998–2019), notably in the Pacific Northwest (PNW) and Southeast (SEUS). The OA rise in the SEUS is driven by the enhanced formation of epoxydiol-derived secondary organic aerosol due to the increase in biogenic volatile organic compounds and sulfate, while in the PNW, it is caused by wildfires. A total of 10 climate models captured the OA increase in the PNW yet greatly underestimated it in the SEUS.
Zhenyu Zhang, Jing Li, Huizheng Che, Yueming Dong, Oleg Dubovik, Thomas Eck, Pawan Gupta, Brent Holben, Jhoon Kim, Elena Lind, Trailokya Saud, Sachchida Nand Tripathi, and Tong Ying
EGUsphere, https://doi.org/10.5194/egusphere-2024-2533, https://doi.org/10.5194/egusphere-2024-2533, 2024
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We used ground-based remote sensing data from the Aerosol Robotic Network to examine long-term trends in aerosol characteristics. We found aerosol loadings generally decreased globally, and aerosols became more scattering. These changes are closely related to variations in aerosol compositions, such as decreased anthropogenic emissions over East Asia, Europe, and North America, increased anthropogenic source over North India, increased dust activities over the Arabian Peninsula, etc.
Weina Zhang, Jianhua Mai, Zhichao Fan, Yongpeng Ji, Yuemeng Ji, Guiying Li, Yanpeng Gao, and Taicheng An
Atmos. Chem. Phys., 24, 9019–9030, https://doi.org/10.5194/acp-24-9019-2024, https://doi.org/10.5194/acp-24-9019-2024, 2024
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This study reveals heterogeneous oxidation causes further radiative forcing effect (RFE) enhancement of amine–mineral mixed particles. Note that RFE increment is higher under clean conditions than that under polluted conditions, which is contributed to high-oxygen-content products. The enhanced RFE of amine–mineral particles caused by heterogenous oxidation is expected to alleviate warming effects.
Shenglan Jiang, Yan Zhang, Guangyuan Yu, Zimin Han, Junri Zhao, Tianle Zhang, and Mei Zheng
Atmos. Chem. Phys., 24, 8363–8381, https://doi.org/10.5194/acp-24-8363-2024, https://doi.org/10.5194/acp-24-8363-2024, 2024
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This study aims to provide gridded data on sea-wide concentrations, deposition fluxes, and soluble deposition fluxes with detailed source categories of metals using the modified CMAQ model. We developed a monthly emission inventory of six metals – Fe, Al, V, Ni, Zn, and Cu – from terrestrial anthropogenic, ship, and dust sources in East Asia in 2017. Our results reveal the contribution of each source to the emissions, concentrations, and deposition fluxes of metals in the East Asian seas.
Stelios Myriokefalitakis, Matthias Karl, Kim A. Weiss, Dimitris Karagiannis, Eleni Athanasopoulou, Anastasia Kakouri, Aikaterini Bougiatioti, Eleni Liakakou, Iasonas Stavroulas, Georgios Papangelis, Georgios Grivas, Despina Paraskevopoulou, Orestis Speyer, Nikolaos Mihalopoulos, and Evangelos Gerasopoulos
Atmos. Chem. Phys., 24, 7815–7835, https://doi.org/10.5194/acp-24-7815-2024, https://doi.org/10.5194/acp-24-7815-2024, 2024
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A state-of-the-art thermodynamic model has been coupled with the city-scale chemistry transport model EPISODE–CityChem to investigate the equilibrium between the inorganic gas and aerosol phases over the greater Athens area, Greece. The simulations indicate that the formation of nitrates in an urban environment is significantly affected by local nitrogen oxide emissions, as well as ambient temperature, relative humidity, photochemical activity, and the presence of non-volatile cations.
Rui Li, Yining Gao, Lijia Zhang, Yubing Shen, Tianzhao Xu, Wenwen Sun, and Gehui Wang
Atmos. Chem. Phys., 24, 7623–7636, https://doi.org/10.5194/acp-24-7623-2024, https://doi.org/10.5194/acp-24-7623-2024, 2024
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A three-stage model was developed to obtain the global maps of reactive nitrogen components during 2000–2100. The results implied that cross-validation R2 values of four species showed satisfactory performance (R2 > 0.55). Most reactive nitrogen components, except NH3, in China showed increases during 2000–2013. In the future scenarios, SSP3-7.0 (traditional-energy scenario) and SSP1-2.6 (carbon neutrality scenario) showed the highest and lowest reactive nitrogen component concentrations.
Fei Ye, Jingyi Li, Yaqin Gao, Hongli Wang, Jingyu An, Cheng Huang, Song Guo, Keding Lu, Kangjia Gong, Haowen Zhang, Momei Qin, and Jianlin Hu
Atmos. Chem. Phys., 24, 7467–7479, https://doi.org/10.5194/acp-24-7467-2024, https://doi.org/10.5194/acp-24-7467-2024, 2024
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Naphthalene (Nap) and methylnaphthalene (MN) are key precursors of secondary organic aerosol (SOA), yet their sources and sinks are often inadequately represented in air quality models. In this study, we incorporated detailed emissions, gas-phase chemistry, and SOA parameterization of Nap and MN into CMAQ to address this issue. The findings revealed remarkably high SOA formation potentials for these compounds despite their low emissions in the Yangtze River Delta region during summer.
Vy Dinh Ngoc Thuy, Jean-Luc Jaffrezo, Ian Hough, Pamela A. Dominutti, Guillaume Salque Moreton, Grégory Gille, Florie Francony, Arabelle Patron-Anquez, Olivier Favez, and Gaëlle Uzu
Atmos. Chem. Phys., 24, 7261–7282, https://doi.org/10.5194/acp-24-7261-2024, https://doi.org/10.5194/acp-24-7261-2024, 2024
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The capacity of particulate matter (PM) to generate reactive oxygen species in vivo is represented by oxidative potential (OP). This study focuses on finding the appropriate model to evaluate the oxidative character of PM sources in six sites using the PM sources and OP. Eight regression techniques are introduced to assess the OP of PM. The study highlights the importance of selecting a model according to the input data characteristics and establishes some recommendations for the procedure.
Natalie M. Mahowald, Longlei Li, Julius Vira, Marje Prank, Douglas S. Hamilton, Hitoshi Matsui, Ron L. Miller, Louis Lu, Ezgi Akyuz, Daphne Meidan, Peter G. Hess, Heikki Lihavainen, Christine Wiedinmyer, Jenny Hand, Maria Grazia Alaimo, Célia Alves, Andres Alastuey, Paulo Artaxo, Africa Barreto, Francisco Barraza, Silvia Becagli, Giulia Calzolai, Shankararaman Chellam, Ying Chen, Patrick Chuang, David D. Cohen, Cristina Colombi, Evangelia Diapouli, Gaetano Dongarra, Konstantinos Eleftheriadis, Johann Engelbrecht, Corinne Galy-Lacaux, Cassandra Gaston, Dario Gomez, Yenny González Ramos, Roy M. Harrison, Chris Heyes, Barak Herut, Philip Hopke, Christoph Hüglin, Maria Kanakidou, Zsofia Kertesz, Zbigniew Klimont, Katriina Kyllönen, Fabrice Lambert, Xiaohong Liu, Remi Losno, Franco Lucarelli, Willy Maenhaut, Beatrice Marticorena, Randall V. Martin, Nikolaos Mihalopoulos, Yasser Morera-Gomez, Adina Paytan, Joseph Prospero, Sergio Rodríguez, Patricia Smichowski, Daniela Varrica, Brenna Walsh, Crystal Weagle, and Xi Zhao
EGUsphere, https://doi.org/10.5194/egusphere-2024-1617, https://doi.org/10.5194/egusphere-2024-1617, 2024
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Aerosol particles are an important part of the Earth system, but their concentrations are spatially and temporally heterogeneous, as well as variable in size and composition. Here we present a new compilation of PM2.5 and PM10 aerosol observations, focusing on the spatial variability across different observational stations, including composition, and demonstrate a method for comparing the datasets to model output.
Ming Chu, Xing Wei, Shangfei Hai, Yang Gao, Huiwang Gao, Yujiao Zhu, Biwu Chu, Nan Ma, Juan Hong, Yele Sun, and Xiaohong Yao
Atmos. Chem. Phys., 24, 6769–6786, https://doi.org/10.5194/acp-24-6769-2024, https://doi.org/10.5194/acp-24-6769-2024, 2024
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We used a 20-bin WRF-Chem model to simulate NPF events in the NCP during a three-week observational period in the summer of 2019. The model was able to reproduce the observations during June 29–July 6, which was characterized by a high frequency of NPF occurrence.
Haoqi Wang, Xiao Tian, Wanting Zhao, Jiacheng Li, Haoyu Yu, Yinchang Feng, and Shaojie Song
Atmos. Chem. Phys., 24, 6583–6592, https://doi.org/10.5194/acp-24-6583-2024, https://doi.org/10.5194/acp-24-6583-2024, 2024
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pH is a key property of ambient aerosols, which affect many atmospheric processes. As aerosol pH is a non-conservative parameter, diverse averaging metrics and temporal resolutions may influence the pH values calculated by thermodynamic models. This technical note seeks to quantitatively evaluate the average pH using varied metrics and resolutions. The ultimate goal is to establish standardized reporting practices in future research endeavors.
Jiwon Choi, Myoseon Jang, and Spencer Blau
Atmos. Chem. Phys., 24, 6567–6582, https://doi.org/10.5194/acp-24-6567-2024, https://doi.org/10.5194/acp-24-6567-2024, 2024
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Persistent phenoxy radical (PPR), formed by phenol gas oxidation and its aqueous reaction, catalytically destroys O3 and retards secondary organic aerosol (SOA) growth. Explicit gas mechanisms including the formation of PPR and low-volatility products from the oxidation of phenol or benzene are applied to the UNIPAR model to predict SOA mass via multiphase reactions of precursors. Aqueous reactions of reactive organics increase SOA mass but retard SOA growth via heterogeneously formed PPR.
Yang Yang, Shaoxuan Mou, Hailong Wang, Pinya Wang, Baojie Li, and Hong Liao
Atmos. Chem. Phys., 24, 6509–6523, https://doi.org/10.5194/acp-24-6509-2024, https://doi.org/10.5194/acp-24-6509-2024, 2024
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The variations in anthropogenic aerosol concentrations and source contributions and their subsequent radiative impact in major emission regions during historical periods are quantified based on an aerosol-tagging system in E3SMv1. Due to the industrial development and implementation of economic policies, sources of anthropogenic aerosols show different variations, which has important implications for pollution prevention and control measures and decision-making for global collaboration.
Maegan A. DeLessio, Kostas Tsigaridis, Susanne E. Bauer, Jacek Chowdhary, and Gregory L. Schuster
Atmos. Chem. Phys., 24, 6275–6304, https://doi.org/10.5194/acp-24-6275-2024, https://doi.org/10.5194/acp-24-6275-2024, 2024
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This study presents the first explicit representation of brown carbon aerosols in the GISS ModelE Earth system model (ESM). Model sensitivity to a range of brown carbon parameters and model performance compared to AERONET and MODIS retrievals of total aerosol properties were assessed. A summary of best practices for incorporating brown carbon into ModelE is also included.
Chuanyang Shen, Xiaoyan Yang, Joel Thornton, John Shilling, Chenyang Bi, Gabriel Isaacman-VanWertz, and Haofei Zhang
Atmos. Chem. Phys., 24, 6153–6175, https://doi.org/10.5194/acp-24-6153-2024, https://doi.org/10.5194/acp-24-6153-2024, 2024
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In this work, a condensed multiphase isoprene oxidation mechanism was developed to simulate isoprene SOA formation from chamber and field studies. Our results show that the measured isoprene SOA mass concentrations can be reasonably reproduced. The simulation results indicate that multifunctional low-volatility products contribute significantly to total isoprene SOA. Our findings emphasize that the pathways to produce these low-volatility species should be considered in models.
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.
Tommaso Galeazzo, Bernard Aumont, Marie Camredon, Richard Valorso, Yong B. Lim, Paul J. Ziemann, and Manabu Shiraiwa
Atmos. Chem. Phys., 24, 5549–5565, https://doi.org/10.5194/acp-24-5549-2024, https://doi.org/10.5194/acp-24-5549-2024, 2024
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Secondary organic aerosol (SOA) derived from n-alkanes is a major component of anthropogenic particulate matter. We provide an analysis of n-alkane SOA by chemistry modeling, machine learning, and laboratory experiments, showing that n-alkane SOA adopts low-viscous semi-solid or liquid states. Our results indicate few kinetic limitations of mass accommodation in SOA formation, supporting the application of equilibrium partitioning for simulating n-alkane SOA in large-scale atmospheric models.
Bin Luo, Yuqiang Zhang, Tao Tang, Hongliang Zhang, Jianlin Hu, Jiangshan Mu, Wenxing Wang, and Likun Xue
EGUsphere, https://doi.org/10.5194/egusphere-2024-974, https://doi.org/10.5194/egusphere-2024-974, 2024
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India is facing a severe air pollution crisis that poses significant health risks, particularly from PM2.5 and O3. Our study reveals rising levels of both pollutants from 1995 to 2014, leading to increased premature mortality. While anthropogenic emissions play a significant role, biomass burning also impacts air quality, in particular seasons and regions in India. This study highlights the urgent need for localized policies to protect public health amid escalating environmental challenges.
Lukáš Bartík, Peter Huszár, Jan Karlický, Ondřej Vlček, and Kryštof Eben
Atmos. Chem. Phys., 24, 4347–4387, https://doi.org/10.5194/acp-24-4347-2024, https://doi.org/10.5194/acp-24-4347-2024, 2024
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The presented study deals with the attribution of fine particulate matter (PM2.5) concentrations to anthropogenic emissions over Central Europe using regional-scale models. It calculates the present-day contributions of different emissions sectors to concentrations of PM2.5 and its secondary components. Moreover, the study investigates the effect of chemical nonlinearities by using multiple source attribution methods and secondary organic aerosol calculation methods.
Rui Wang, Yang Cheng, Shasha Chen, Rongrong Li, Yue Hu, Xiaokai Guo, Tianlei Zhang, Fengmin Song, and Hao Li
Atmos. Chem. Phys., 24, 4029–4046, https://doi.org/10.5194/acp-24-4029-2024, https://doi.org/10.5194/acp-24-4029-2024, 2024
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We used quantum chemical calculations, Born–Oppenheimer molecular dynamics simulations, and the ACDC kinetic model to characterize SO3–H2SO4 interaction in the gas phase and at the air–water interface and to study the effect of H2S2O7 on H2SO4–NH3-based clusters. The work expands our understanding of new pathways for the loss of SO3 in acidic polluted areas and helps reveal some missing sources of NPF in metropolitan industrial regions and understand the atmospheric organic–sulfur cycle better.
Hao Yang, Lei Chen, Hong Liao, Jia Zhu, Wenjie Wang, and Xin Li
Atmos. Chem. Phys., 24, 4001–4015, https://doi.org/10.5194/acp-24-4001-2024, https://doi.org/10.5194/acp-24-4001-2024, 2024
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The present study quantifies the response of aerosol–radiation interaction (ARI) to anthropogenic emission reduction from 2013 to 2017, with the main focus on the contribution to changed O3 concentrations over eastern China both in summer and winter using the WRF-Chem model. The weakened ARI due to decreased anthropogenic emission aggravates the summer (winter) O3 pollution by +0.81 ppb (+0.63 ppb), averaged over eastern China.
Margaret R. Marvin, Paul I. Palmer, Fei Yao, Mohd Talib Latif, and Md Firoz Khan
Atmos. Chem. Phys., 24, 3699–3715, https://doi.org/10.5194/acp-24-3699-2024, https://doi.org/10.5194/acp-24-3699-2024, 2024
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We use an atmospheric chemistry model to investigate aerosols emitted from fire activity across Southeast Asia. We find that the limited nature of measurements in this region leads to large uncertainties that significantly hinder the model representation of these aerosols and their impacts on air quality. As a result, the number of monthly attributable deaths is underestimated by as many as 4500, particularly in March at the peak of the mainland burning season.
Julie Camman, Benjamin Chazeau, Nicolas Marchand, Amandine Durand, Grégory Gille, Ludovic Lanzi, Jean-Luc Jaffrezo, Henri Wortham, and Gaëlle Uzu
Atmos. Chem. Phys., 24, 3257–3278, https://doi.org/10.5194/acp-24-3257-2024, https://doi.org/10.5194/acp-24-3257-2024, 2024
Short summary
Short summary
Fine particle (PM1) pollution is a major health issue in the city of Marseille, which is subject to numerous pollution sources. Sampling carried out during the summer enabled a fine characterization of the PM1 sources and their oxidative potential, a promising new metric as a proxy for health impact. PM1 came mainly from combustion sources, secondary ammonium sulfate, and organic nitrate, while the oxidative potential of PM1 came from these sources and from resuspended dust in the atmosphere.
Yuemeng Ji, Zhang Shi, Wenjian Li, Jiaxin Wang, Qiuju Shi, Yixin Li, Lei Gao, Ruize Ma, Weijun Lu, Lulu Xu, Yanpeng Gao, Guiying Li, and Taicheng An
Atmos. Chem. Phys., 24, 3079–3091, https://doi.org/10.5194/acp-24-3079-2024, https://doi.org/10.5194/acp-24-3079-2024, 2024
Short summary
Short summary
The formation mechanisms for secondary brown carbon (SBrC) contributed by multifunctional reduced nitrogen compounds (RNCs) remain unclear. Hence, from combined laboratory experiments and quantum chemical calculations, we investigated the heterogeneous reactions of glyoxal (GL) with multifunctional RNCs, which are driven by four-step indirect nucleophilic addition reactions. Our results show a possible missing source for SBrC formation on urban, regional, and global scales.
Cited articles
Ahmadov, R., McKeen, S. A., Robinson, A. L., Bahreini, R., Middlebrook, A. M., de Gouw, J. A., Meagher, J., Hsie, E.-Y., Edgerton, E., Shaw, S., and Trainer, M.: A volatility basis set model for summertime secondary organic aerosols over the eastern United States in 2006, J. Geophys. Res.-Atmos., 117, D06301, https://doi.org/10.1029/2011jd016831, 2012.
Akherati, A., Cappa, C. D., Kleeman, M. J., Docherty, K. S., Jimenez, J. L., Griffith, S. M., Dusanter, S., Stevens, P. S., and Jathar, S. H.: Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 3: Assessing the influence of semi-volatile and intermediate-volatility organic compounds and NOx, Atmos. Chem. Phys., 19, 4561–4594, https://doi.org/10.5194/acp-19-4561-2019, 2019.
Aksoyoglu, S., Keller, J., Barmpadimos, I., Oderbolz, D., Lanz, V. A., Prévôt, A. S. H., and Baltensperger, U.: Aerosol modelling in Europe with a focus on Switzerland during summer and winter episodes, Atmos. Chem. Phys., 11, 7355–7373, https://doi.org/10.5194/acp-11-7355-2011, 2011.
Aumont, B., Szopa, S., and Madronich, S.: Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: development of an explicit model based on a self generating approach, Atmos. Chem. Phys., 5, 2497–2517, https://doi.org/10.5194/acp-5-2497-2005, 2005.
Belis, C. A., Karagulian, F., Larsen, B. R., and Hopke, P. K.: Critical
review and meta-analysis of ambient particulate matter source apportionment
using receptor models in Europe, Atmos. Environ., 69, 94–108,
https://doi.org/10.1016/j.atmosenv.2012.11.009, 2013.
Bergström, R., Denier van der Gon, H. A. C., Prévôt, A. S. H., Yttri, K. E., and Simpson, D.: Modelling of organic aerosols over Europe (2002–2007) using a volatility basis set (VBS) framework: application of different assumptions regarding the formation of secondary organic aerosol, Atmos. Chem. Phys., 12, 8499–8527, https://doi.org/10.5194/acp-12-8499-2012, 2012.
Bessagnet, B., Hodzic, A., Vautard, R., Beekmann, M., Cheinet, S.,
Honoré, C., Liousse, C., and Rouil, L.: Aerosol modeling with CHIMERE –
Preliminary evaluation at the continental scale, Atmos. Environ., 38,
2803–2817, https://doi.org/10.1016/j.atmosenv.2004.02.034, 2004.
Bessagnet, B., Menut, L., Curci, G., Hodzic, A., Guillaume, B., Liousse, C.,
Moukhtar, S., Pun, B., Seigneur, C., and Schulz, M.: Regional modeling of
carbonaceous aerosols over Europe—focus on secondary organic aerosols, J.
Atmos. Chem., 61, 175–202, https://doi.org/10.1007/s10874-009-9129-2,
2009.
Bessagnet, B., Seigneur, C., and Menut, L.: Impact of dry deposition of
semi-volatile organic compounds on secondary organic aerosols, Atmos.
Environ., 44, 1781–1787,
https://doi.org/10.1016/j.atmosenv.2010.01.027, 2010.
Bessagnet, B., Pirovano, G., Mircea, M., Cuvelier, C., Aulinger, A., Calori, G., Ciarelli, G., Manders, A., Stern, R., Tsyro, S., García Vivanco, M., Thunis, P., Pay, M.-T., Colette, A., Couvidat, F., Meleux, F., Rouïl, L., Ung, A., Aksoyoglu, S., Baldasano, J. M., Bieser, J., Briganti, G., Cappelletti, A., D'Isidoro, M., Finardi, S., Kranenburg, R., Silibello, C., Carnevale, C., Aas, W., Dupont, J.-C., Fagerli, H., Gonzalez, L., Menut, L., Prévôt, A. S. H., Roberts, P., and White, L.: Presentation of the EURODELTA III intercomparison exercise – evaluation of the chemistry transport models' performance on criteria pollutants and joint analysis with meteorology, Atmos. Chem. Phys., 16, 12667–12701, https://doi.org/10.5194/acp-16-12667-2016, 2016.
Boucher, O., Randall, D., Artaxo, P., Bretherton, C., Feingold, G., Forster,
P., Kerminen, V.-M., Kondo, Y., Liao, H., Lohmann, U., Rasch, P., Satheesh,
S. K., Sherwood, S., Stevens, B., and Zhang, X. Y.: Clouds and Aerosols, in
Climate Change 2013 – The Physical Science Basis. Contribution of Working
Group I to the Fifth Assessment Report of the Intergovernmental Panel on
Climate Change, edited by: Stocker, T. F., Qin, D., Plattner, G.-K., Tignor, M., Allen, S.
K., Boschung, J., Nauels, A., Xia, Y., Bex, V., and Midgley, P. M., Cambridge University Press, Cambridge, UK and New
York, NY, USA,
571–658, 2013.
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.
Brégonzio-Rozier, L., Giorio, C., Siekmann, F., Pangui, E., Morales, S. B., Temime-Roussel, B., Gratien, A., Michoud, V., Cazaunau, M., DeWitt, H. L., Tapparo, A., Monod, A., and Doussin, J.-F.: Secondary organic aerosol formation from isoprene photooxidation during cloud condensation–evaporation cycles, Atmos. Chem. Phys., 16, 1747–1760, https://doi.org/10.5194/acp-16-1747-2016, 2016.
Camredon, M., Aumont, B., Lee-Taylor, J., and Madronich, S.: The SOA/VOC/NOx system: an explicit model of secondary organic aerosol formation, Atmos. Chem. Phys., 7, 5599–5610, https://doi.org/10.5194/acp-7-5599-2007, 2007.
Canagaratna, M. R., Jimenez, J. L., Kroll, J. H., Chen, Q., Kessler, S. H., Massoli, P., Hildebrandt Ruiz, L., Fortner, E., Williams, L. R., Wilson, K. R., Surratt, J. D., Donahue, N. M., Jayne, J. T., and Worsnop, D. R.: Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications, Atmos. Chem. Phys., 15, 253–272, https://doi.org/10.5194/acp-15-253-2015, 2015.
Cappa, C. D. and Wilson, K. R.: Multi-generation gas-phase oxidation, equilibrium partitioning, and the formation and evolution of secondary organic aerosol, Atmos. Chem. Phys., 12, 9505–9528, https://doi.org/10.5194/acp-12-9505-2012, 2012.
Cappa, C. D., Jathar, S. H., Kleeman, M. J., Docherty, K. S., Jimenez, J. L., Seinfeld, J. H., and Wexler, A. S.: Simulating secondary organic aerosol in a regional air quality model using the statistical oxidation model – Part 2: Assessing the influence of vapor wall losses, Atmos. Chem. Phys., 16, 3041–3059, https://doi.org/10.5194/acp-16-3041-2016, 2016.
Carlton, A. G., Wiedinmyer, C., and Kroll, J. H.: A review of Secondary Organic Aerosol (SOA) formation from isoprene, Atmos. Chem. Phys., 9, 4987–5005, https://doi.org/10.5194/acp-9-4987-2009, 2009.
Carter, W. P. L.: A detailed mechanism for the gas-phase atmospheric
reactions of organic compounds, Atmos. Environ., 24, 481–518,
https://doi.org/10.1016/0960-1686(90)90005-8, 1990.
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.
Ciarelli, G., Aksoyoglu, S., Crippa, M., Jimenez, J.-L., Nemitz, E., Sellegri, K., Äijälä, M., Carbone, S., Mohr, C., O'Dowd, C., Poulain, L., Baltensperger, U., and Prévôt, A. S. H.: Evaluation of European air quality modelled by CAMx including the volatility basis set scheme, Atmos. Chem. Phys., 16, 10313–10332, https://doi.org/10.5194/acp-16-10313-2016, 2016.
Ciarelli, G., Aksoyoglu, S., El Haddad, I., Bruns, E. A., Crippa, M., Poulain, L., Äijälä, M., Carbone, S., Freney, E., O'Dowd, C., Baltensperger, U., and Prévôt, A. S. H.: Modelling winter organic aerosol at the European scale with CAMx: evaluation and source apportionment with a VBS parameterization based on novel wood burning smog chamber experiments, Atmos. Chem. Phys., 17, 7653–7669, https://doi.org/10.5194/acp-17-7653-2017, 2017.
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.
Couvidat, F. and Seigneur, C.: Modeling secondary organic aerosol formation from isoprene oxidation under dry and humid conditions, Atmos. Chem. Phys., 11, 893–909, https://doi.org/10.5194/acp-11-893-2011, 2011.
Couvidat, F., Debry, É., Sartelet, K., and Seigneur, C.: A
hydrophilic/hydrophobic organic (H2O) aerosol model: Development, evaluation
and sensitivity analysis, J. Geophys. Res., 117, D10304,
https://doi.org/10.1029/2011JD017214, 2012.
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.
Couvidat, F., Bessagnet, B., Garcia-Vivanco, M., Real, E., Menut, L., and Colette, A.: Development of an inorganic and organic aerosol model (CHIMERE 2017 β v1.0): seasonal and spatial evaluation over Europe, Geosci. Model Dev., 11, 165–194, https://doi.org/10.5194/gmd-11-165-2018, 2018.
Crippa, M., Canonaco, F., Lanz, V. A., Äijälä, M., Allan, J. D., Carbone, S., Capes, G., Ceburnis, D., Dall'Osto, M., Day, D. A., DeCarlo, P. F., Ehn, M., Eriksson, A., Freney, E., Hildebrandt Ruiz, L., Hillamo, R., Jimenez, J. L., Junninen, H., Kiendler-Scharr, A., Kortelainen, A.-M., Kulmala, M., Laaksonen, A., Mensah, A. A., Mohr, C., Nemitz, E., O'Dowd, C., Ovadnevaite, J., Pandis, S. N., Petäjä, T., Poulain, L., Saarikoski, S., Sellegri, K., Swietlicki, E., Tiitta, P., Worsnop, D. R., Baltensperger, U., and Prévôt, A. S. H.: Organic aerosol components derived from 25 AMS data sets across Europe using a consistent ME-2 based source apportionment approach, Atmos. Chem. Phys., 14, 6159–6176, https://doi.org/10.5194/acp-14-6159-2014, 2014.
Crounse, J. D., Nielsen, L. B., Jørgensen, S., Kjaergaard, H. G., and
Wennberg, P. O.: Autoxidation of organic compounds in the atmosphere, J.
Phys. Chem. Lett., 4, 3513–3520, https://doi.org/10.1021/jz4019207,
2013.
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.
Denier van der Gon, H. A. C., Bergström, R., Fountoukis, C., Johansson, C., Pandis, S. N., Simpson, D., and Visschedijk, A. J. H.: Particulate emissions from residential wood combustion in Europe – revised estimates and an evaluation, Atmos. Chem. Phys., 15, 6503–6519, https://doi.org/10.5194/acp-15-6503-2015, 2015.
Denjean, C., Formenti, P., Picquet-Varrault, B., Camredon, M., Pangui, E., Zapf, P., Katrib, Y., Giorio, C., Tapparo, A., Temime-Roussel, B., Monod, A., Aumont, B., and Doussin, J. F.: Aging of secondary organic aerosol generated from the ozonolysis of α-pinene: effects of ozone, light and temperature, Atmos. Chem. Phys., 15, 883–897, https://doi.org/10.5194/acp-15-883-2015, 2015.
Denkenberger, K. A., Moffet, R. C., Holecek, J. C., Rebotier, T. P., and
Prather, K. A.: Real-time, single-particle measurements of oligomers in aged
ambient aerosol particles, Environ. Sci. Technol., 41, 5439–5446,
https://doi.org/10.1021/es070329l, 2007.
Dommen, J., Metzger, A., Duplissy, J., Kalberer, M., Alfarra, M. R., Gascho,
A., Weingartner, E., Prevot, A. S. H., Verheggen, B., and Baltensperger, U.:
Laboratory observation of oligomers in the aerosol from isoprene/NOx
photooxidation, Geophys. Res. Lett., 33, 1–5,
https://doi.org/10.1029/2006GL026523, 2006.
Donahue, N. M., Huff Hartz, K. E., Chuong, B., Presto, A. A., Stanier, C.
O., Rosenhorn, T., Robinson, A. L., and Pandis, S. N.: Critical factors
determining the variation in SOA yields from terpene ozonolysis: A combined
experimental and computational study, Faraday Discuss., 130, 295–309,
https://doi.org/10.1039/b417369d, 2005.
Donahue, N. M., Robinson, A. L., Stanier, C. O., and Pandis, S. N.: Coupled
partitioning, dilution, and chemical aging of semivolatile organics,
Environ. Sci. Technol., 40, 2635–2643,
https://doi.org/10.1021/es052297c, 2006.
Donahue, N. M., Kroll, J. H., Pandis, S. N., and Robinson, A. L.: A two-dimensional volatility basis set – Part 2: Diagnostics of organic-aerosol evolution, Atmos. Chem. Phys., 12, 615–634, https://doi.org/10.5194/acp-12-615-2012, 2012.
Ebel, A., Friedrich, R., and Rodhe, H.: GENEMIS: Assessment, Improvement, and
Temporal and Spatial Disaggregation of European Emission Data, in
Tropospheric Modelling and Emission Estimation, Springer
Berlin Heidelberg, Berlin, Heidelberg, Germany, 181–214, 1997.
Ehn, M., Thornton, J. A., Kleist, E., Sipila, M., Junninen, H., Pullinen,
I., Springer, M., Rubach, F., Tillmann, R., Lee, B., Lopez-Hilfiker, F.,
Andres, S., Acir, I. H., Rissanen, M., Jokinen, T., Schobesberger, S.,
Kangasluoma, J., Kontkanen, J., Nieminen, T., Kurten, T., Nielsen, L. B.,
Jorgensen, S., Kjaergaard, H. G., Canagaratna, M., Dal Maso, M., Berndt, T.,
Petaja, T., Wahner, A., Kerminen, V. M., Kulmala, M., Worsnop, D. R., Wildt,
J., and Mentel, T. F.: A large source of low-volatility secondary organic
aerosol, Nature, 506, 476–479, https://doi.org/10.1038/Nature13032,
2014.
Emmons, L. K., Walters, S., Hess, P. G., Lamarque, J.-F., Pfister, G. G., Fillmore, D., Granier, C., Guenther, A., Kinnison, D., Laepple, T., Orlando, J., Tie, X., Tyndall, G., Wiedinmyer, C., Baughcum, S. L., and Kloster, S.: Description and evaluation of the Model for Ozone and Related chemical Tracers, version 4 (MOZART-4), Geosci. Model Dev., 3, 43–67, https://doi.org/10.5194/gmd-3-43-2010, 2010.
Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient
thermodynamic equilibrium model for
K+–Ca2+–Mg2+–
Fraser, M., Cass, G., Simoneit, B., and Rasmussen, R.: Air quality model
evaluation data for organics .4. C2–C36 non-aromatic hydrocarbons, Environ.
Sci. Technol., 31, 2356–2367, https://doi.org/10.1021/es960980g, 1997.
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.
Friedrich, R.: GENEMIS: Generation of European Emission Data for Episodes,
in Transport and Chemical Transformation of Pollutants in the Troposphere,
Springer Berlin Heidelberg, Berlin, Heidelberg, Germany, 375–386, 2000.
Gelencsér, A., May, B., Simpson, D., Sánchez-Ochoa, A.,
Kasper-Giebl, A., Puxbaum, H., Caseiro, A., Pio, C., and Legrand, M.: Source
apportionment of PM2.5 organic aerosol over Europe: Primary/secondary,
natural/anthropogenic, and fossil/biogenic origin, J. Geophys. Res.,
112, D23S04, https://doi.org/10.1029/2006JD008094, 2007.
Gentner, D. R., Isaacman, G., Worton, D. R., Chan, A. W. H., Dallmann, T.
R., Davis, L., Liu, S., Day, D. A., Russell, L. M., Wilson, K. R., Weber,
R., Guha, A., Harley, R. A., and Goldstein, A. H.: Elucidating secondary
organic aerosol from diesel and gasoline vehicles through detailed
characterization of organic carbon emissions, P. Natl. Acad. Sci. USA,
109, 18318–18323, https://doi.org/10.1073/pnas.1212272109, 2012.
Grieshop, A. P., Logue, J. M., Donahue, N. M., and Robinson, A. L.: Laboratory investigation of photochemical oxidation of organic aerosol from wood fires 1: measurement and simulation of organic aerosol evolution, Atmos. Chem. Phys., 9, 1263–1277, https://doi.org/10.5194/acp-9-1263-2009, 2009.
Guenther, A. B., Jiang, X., Heald, C. L., Sakulyanontvittaya, T., Duhl, T., Emmons, L. K., and Wang, X.: The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions, Geosci. Model Dev., 5, 1471–1492, https://doi.org/10.5194/gmd-5-1471-2012, 2012.
Han, S., Bian, H., Zhang, Y., Wu, J., Wang, Y., Tie, X., Li, Y., Li, X., and
Yao, Q.: Effect of Aerosols on Visibility and Radiation in Spring 2009 in
Tianjin, China, Aerosol Air Qual. Res., 12, 211–217,
https://doi.org/10.4209/aaqr.2011.05.0073, 2012.
Hatch, L. E., Rivas-Ubach, A., Jen, C. N., Lipton, M., Goldstein, A. H., and Barsanti, K. C.: Measurements of I/SVOCs in biomass-burning smoke using solid-phase extraction disks and two-dimensional gas chromatography, Atmos. Chem. Phys., 18, 17801–17817, https://doi.org/10.5194/acp-18-17801-2018, 2018.
Heald, C. L., Jacob, D. J., Park, R. J., Russell, L. M., Huebert, B. J.,
Seinfeld, J. H., Liao, H., and Weber, R. J.: A large organic aerosol source
in the free troposphere missing from current models, Geophys. Res. Lett.,
32, L18809, https://doi.org/10.1029/2005GL023831, 2005.
Hodzic, A., Jimenez, J. L., Madronich, S., Canagaratna, M. R., DeCarlo, P. F., Kleinman, L., and Fast, J.: Modeling organic aerosols in a megacity: potential contribution of semi-volatile and intermediate volatility primary organic compounds to secondary organic aerosol formation, Atmos. Chem. Phys., 10, 5491–5514, https://doi.org/10.5194/acp-10-5491-2010, 2010.
Hodzic, A., Aumont, B., Knote, C., Lee-Taylor, J., Madronich, S., and
Tyndall, G.: Volatility dependence of Henry's law constants of condensable
organics: Application to estimate depositional loss of secondary organic
aerosols, Geophys. Res. Lett., 41, 4795–4804,
https://doi.org/10.1002/2014GL060649, 2014.
Im, U., Bianconi, R., Solazzo, E., Kioutsioukis, I., Badia, A., Balzarini,
A., Baró, R., Bellasio, R., Brunner, D., Chemel, C., Curci, G.,
Flemming, J., Forkel, R., Giordano, L., Jiménez-Guerrero, P., Hirtl, M.,
Hodzic, A., Honzak, L., Jorba, O., Knote, C., Kuenen, J. J. P., Makar, P.
A., Manders-Groot, A., Neal, L., Pérez, J. L., Pirovano, G., Pouliot,
G., San Jose, R., Savage, N., Schroder, W., Sokhi, R. S., Syrakov, D.,
Torian, A., Tuccella, P., Werhahn, J., Wolke, R., Yahya, K., Zabkar, R.,
Zhang, Y., Zhang, J., Hogrefe, C., and Galmarini, S.: Evaluation of
operational on-line-coupled regional air quality models over Europe and
North America in the context of AQMEII phase 2. Part I: Ozone, Atmos.
Environ., 115, 404–420, https://doi.org/10.1016/j.atmosenv.2014.09.042,
2015.
Jacobson, M. Z., Turco, R. P., Jensen, E. J., and Toon, O. B.: Modeling
coagulation among particles of different composition and size, Atmos.
Environ., 28, 1327–1338, https://doi.org/10.1016/1352-2310(94)90280-1,
1994.
Jathar, S. H., Cappa, C. D., Wexler, A. S., Seinfeld, J. H., and Kleeman, M. J.: Multi-generational oxidation model to simulate secondary organic aerosol in a 3-D air quality model, Geosci. Model Dev., 8, 2553–2567, https://doi.org/10.5194/gmd-8-2553-2015, 2015.
Jathar, S. H., Woody, M., Pye, H. O. T., Baker, K. R., and Robinson, A. L.: Chemical transport model simulations of organic aerosol in southern California: model evaluation and gasoline and diesel source contributions, Atmos. Chem. Phys., 17, 4305–4318, https://doi.org/10.5194/acp-17-4305-2017, 2017.
Jimenez, J. L., Canagaratna, M. R., Donahue, N. M., Prevot, A. S. H., Zhang,
Q., Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., Ng, N. L., Aiken,
A. C., Docherty, K. S., Ulbrich, I. M., 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., Middlebrook, A. M., Kolb, C. E.,
Baltensperger, U., and Worsnop, D. R.: Evolution of organic aerosols in the
atmosphere., Science, 326, 1525–9,
https://doi.org/10.1126/science.1180353, 2009.
Kalberer, M., Sax, M., and Samburova, V.: Molecular size evolution of
oligomers in organic aerosols collected in urban atmospheres and generated
in a smog chamber, Environ. Sci. Technol., 40, 5917–5922,
https://doi.org/10.1021/es0525760, 2006.
Knote, C., Hodzic, A., Jimenez, J. L., Volkamer, R., Orlando, J. J., Baidar, S., Brioude, J., Fast, J., Gentner, D. R., Goldstein, A. H., Hayes, P. L., Knighton, W. B., Oetjen, H., Setyan, A., Stark, H., Thalman, R., Tyndall, G., Washenfelder, R., Waxman, E., and Zhang, Q.: Simulation of semi-explicit mechanisms of SOA formation from glyoxal in aerosol in a 3-D model, Atmos. Chem. Phys., 14, 6213–6239, https://doi.org/10.5194/acp-14-6213-2014, 2014.
Kroll, J. H. and Seinfeld, J. H.: Chemistry of secondary organic aerosol:
Formation and evolution of low-volatility organics in the atmosphere, Atmos.
Environ., 42, 3593–3624,
https://doi.org/10.1016/j.atmosenv.2008.01.003, 2008.
Kulmala, M., Laaksonen, A., and Pirjola, L.: Parameterizations for sulfuric
acid/water nucleation rates, J. Geophys. Res.-Atmos., 103, 8301–8307,
https://doi.org/10.1029/97JD03718, 1998.
La, Y. S., Camredon, M., Ziemann, P. J., Valorso, R., Matsunaga, A., Lannuque, V., Lee-Taylor, J., Hodzic, A., Madronich, S., and Aumont, B.: Impact of chamber wall loss of gaseous organic compounds on secondary organic aerosol formation: explicit modeling of SOA formation from alkane and alkene oxidation, Atmos. Chem. Phys., 16, 1417–1431, https://doi.org/10.5194/acp-16-1417-2016, 2016.
Lane, T. E., Donahue, N. M., and Pandis, S. N.: Effect of NOx on secondary
organic aerosol concentrations, Environ. Sci. Technol., 42, 6022–6027,
https://doi.org/10.1021/es703225a, 2008.
Lannuque, V., Camredon, M., Couvidat, F., Hodzic, A., Valorso, R., Madronich, S., Bessagnet, B., and Aumont, B.: Exploration of the influence of environmental conditions on secondary organic aerosol formation and organic species properties using explicit simulations: development of the VBS-GECKO parameterization, Atmos. Chem. Phys., 18, 13411–13428, https://doi.org/10.5194/acp-18-13411-2018, 2018a.
Lannuque, V., Couvidat, F., Camredon, M., Aumont, B., and Bessagnet, B.: Modeling organic aerosol over Europe in summer conditions with the VBS-GECKO parameterization: sensitivity to secondary organic compound properties and IVOC emissions [Dataset], Zenodo, https://doi.org/10.5281/zenodo.1654297, 2018b.
Lecœur, È. and Seigneur, C.: Dynamic evaluation of a multi-year model simulation of particulate matter concentrations over Europe, Atmos. Chem. Phys., 13, 4319–4337, https://doi.org/10.5194/acp-13-4319-2013, 2013.
Lemaire, V., Coll, I., Couvidat, F., Mouchel-Vallon, C., Seigneur, C., and Siour, G.: Oligomer formation in the troposphere: from experimental knowledge to 3-D modeling, Geosci. Model Dev., 9, 1361–1382, https://doi.org/10.5194/gmd-9-1361-2016, 2016.
Louvaris, E. E., Karnezi, E., Kostenidou, E., Kaltsonoudis, C., and Pandis, S. N.: Estimation of the volatility distribution of organic aerosol combining thermodenuder and isothermal dilution measurements, Atmos. Meas. Tech., 10, 3909–3918, https://doi.org/10.5194/amt-10-3909-2017, 2017.
Lu, Q., Zhao, Y., and Robinson, A. L.: Comprehensive organic emission profiles for gasoline, diesel, and gas-turbine engines including intermediate and semi-volatile organic compound emissions, Atmos. Chem. Phys., 18, 17637–17654, https://doi.org/10.5194/acp-18-17637-2018, 2018.
Mailler, S., Menut, L., Khvorostyanov, D., Valari, M., Couvidat, F., Siour, G., Turquety, S., Briant, R., Tuccella, P., Bessagnet, B., Colette, A., Létinois, L., Markakis, K., and Meleux, F.: CHIMERE-2017: from urban to hemispheric chemistry-transport modeling, Geosci. Model Dev., 10, 2397–2423, https://doi.org/10.5194/gmd-10-2397-2017, 2017.
Matsunaga, A. and Ziemann, P. J.: Aerosol Science and Technology Gas-Wall
Partitioning of Organic Compounds in a Teflon Film Chamber and Potential
Effects on Reaction Product and Aerosol Yield Measurements Gas-Wall
Partitioning of Organic Compounds in a Teflon Film Chamber and Potential E,
Aerosol Sci. Tech., 44, 881–892,
https://doi.org/10.1080/02786826.2010.501044, 2010.
May, A. A., Presto, A. A., Hennigan, C. J., Nguyen, N. T., Gordon, T. D., and
Robinson, A. L.: Gas-particle partitioning of primary organic aerosol
emissions: (1) Gasoline vehicle exhaust, Atmos. Environ., 77, 128–139,
https://doi.org/10.1016/j.atmosenv.2013.04.060, 2013a.
May, A. A., Presto, A. A., Hennigan, C. J., Nguyen, N. T., Gordon, T. D., and
Robinson, A. L.: Gas-particle partitioning of primary organic aerosol
emissions: (2) diesel vehicles, Environ. Sci. Technol., 47, 8288–8296,
https://doi.org/10.1021/es400782j, 2013b.
May, A. A., Levin, E. J. T., Hennigan, C. J., Riipinen, I., Lee, T.,
Collett, J. L., Jimenez, J. L., Kreidenweis, S. M., and Robinson, A. L.:
Gas-particle partitioning of primary organic aerosol emissions: 3. Biomass
burning, J. Geophys. Res.-Atmos., 118, 11327–11338,
https://doi.org/10.1002/jgrd.50828, 2013c.
McMurry, P. H. and Grosjean, D.: Gas and aerosol wall losses in Teflon film
smog chambers, Environ. Sci. Technol., 19, 1176–1182,
https://doi.org/10.1021/es00142a006, 1985.
McVay, R. C., Zhang, X., Aumont, B., Valorso, R., Camredon, M., La, Y. S., Wennberg, P. O., and Seinfeld, J. H.: SOA formation from the photooxidation of α-pinene: systematic exploration of the simulation of chamber data, Atmos. Chem. Phys., 16, 2785–2802, https://doi.org/10.5194/acp-16-2785-2016, 2016.
Menut, L., Bessagnet, B., Khvorostyanov, D., Beekmann, M., Blond, N., Colette, A., Coll, I., Curci, G., Foret, G., Hodzic, A., Mailler, S., Meleux, F., Monge, J.-L., Pison, I., Siour, G., Turquety, S., Valari, M., Vautard, R., and Vivanco, M. G.: CHIMERE 2013: a model for regional atmospheric composition modelling, Geosci. Model Dev., 6, 981–1028, https://doi.org/10.5194/gmd-6-981-2013, 2013.
Mircea, M., Bessagnet, B., D'Isidoro, M., Pirovano, G., Aksoyoglu, S.,
Ciarelli, G., Tsyro, S., Manders, A., Bieser, J., Stern, R., Vivanco, M. G.,
Cuvelier, C., Aas, W., Prévôt, A. S. H., Aulinger, A., Briganti, G.,
Calori, G., Cappelletti, A., Colette, A., Couvidat, F., Fagerli, H.,
Finardi, S., Kranenburg, R., Rouïl, L., Silibello, C., Spindler, G.,
Poulain, L., Herrmann, H., Jimenez, J. L., Day, D. A., Tiitta, P., and
Carbone, S.: EURODELTA III exercise: An evaluation of air quality models'
capacity to reproduce the carbonaceous aerosol, Atmos. Environ., 2,
100018, https://doi.org/10.1016/j.aeaoa.2019.100018, 2019.
Molteni, U., Bianchi, F., Klein, F., El Haddad, I., Frege, C., Rossi, M. J., Dommen, J., and Baltensperger, U.: Formation of highly oxygenated organic molecules from aromatic compounds, Atmos. Chem. Phys., 18, 1909–1921, https://doi.org/10.5194/acp-18-1909-2018, 2018.
Murphy, B. N., Woody, M. C., Jimenez, J. L., Carlton, A. M. G., Hayes, P. L., Liu, S., Ng, N. L., Russell, L. M., Setyan, A., Xu, L., Young, J., Zaveri, R. A., Zhang, Q., and Pye, H. O. T.: Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning, Atmos. Chem. Phys., 17, 11107–11133, https://doi.org/10.5194/acp-17-11107-2017, 2017.
Ng, N. L., Chhabra, P. S., Chan, A. W. H., Surratt, J. D., Kroll, J. H., Kwan, A. J., McCabe, D. C., Wennberg, P. O., Sorooshian, A., Murphy, S. M., Dalleska, N. F., Flagan, R. C., and Seinfeld, J. H.: Effect of NOx level on secondary organic aerosol (SOA) formation from the photooxidation of terpenes, Atmos. Chem. Phys., 7, 5159–5174, https://doi.org/10.5194/acp-7-5159-2007, 2007.
Ntziachristos, L., Gkatzoflias, D., Kouridis, C., and Samaras, Z.: COPERT: A
European Road Transport Emission Inventory Model, edited by:
Athanasiadis, I. N., Rizzoli, A. E., Mitkas, P. A., and Gómez, J. M., Springer, Berlin, Heidelberg, Germany,
491–504, 2009.
Odum, J. R., Hoffmann, T., Bowman, F., Collins, D., Flagan, R. C., and
Seinfeld, J. H.: Gas particle partitioning and secondary organic aerosol
yields, Environ. Sci. Technol., 30, 2580–2585,
https://doi.org/10.1021/es950943+, 1996.
Ots, R., Young, D. E., Vieno, M., Xu, L., Dunmore, R. E., Allan, J. D., Coe, H., Williams, L. R., Herndon, S. C., Ng, N. L., Hamilton, J. F., Bergström, R., Di Marco, C., Nemitz, E., Mackenzie, I. A., Kuenen, J. J. P., Green, D. C., Reis, S., and Heal, M. R.: Simulating secondary organic aerosol from missing diesel-related intermediate-volatility organic compound emissions during the Clean Air for London (ClearfLo) campaign, Atmos. Chem. Phys., 16, 6453–6473, https://doi.org/10.5194/acp-16-6453-2016, 2016.
Pandis, S. N., Wexler, A. S., and Seinfeld, J. H.: Secondary organic aerosol
formation and transport – II. Predicting the ambient secondary organic
aerosol size distribution, Atmos. Environ., 27, 2403–2416,
https://doi.org/10.1016/0960-1686(93)90408-Q, 1993.
Passant, N. R.: Speciation of UK emissions of non-methane volatile organic
compounds, AEA Technology Report ENV-0545, Culham, Abingdon, UK, 2002.
Paulot, F., Crounse, J. D., Kjaergaard, H. G., Kurten, A., St. Clair, J. M.,
Seinfeld, J. H., and Wennberg, P. O.: Unexpected Epoxide Formation in the
Gas-Phase Photooxidation of Isoprene, Science, 325, 730–733,
https://doi.org/10.1126/science.1172910, 2009.
Petetin, H., Beekmann, M., Sciare, J., Bressi, M., Rosso, A., Sanchez, O., and Ghersi, V.: A novel model evaluation approach focusing on local and advected contributions to urban PM2.5 levels – application to Paris, France, Geosci. Model Dev., 7, 1483–1505, https://doi.org/10.5194/gmd-7-1483-2014, 2014.
Pun, B. K., Griffin, R. J., Seigneur, C., and Seinfeld, J. H.: Secondary
organic aerosol 2. Thermodynamic model for gas/particle partitioning of
molecular constituents, J. Geophys. Res.-Atmos., 107, AAC4/1–AAC4/15,
https://doi.org/10.1029/2001JD000542, 2002.
Pun, B. K., Wu, S. Y., Seigneur, C., Seinfeld, J. H., Griffin, R. J., and
Pandis, S. N.: Uncertainties in modeling secondary organic aerosols:
Three-dimensional modeling studies in Nashville/Western Tennessee, Environ.
Sci. Technol., 37, 3647–3661, https://doi.org/10.1021/es0341541, 2003.
Pun, B. K., Seigneur, C., Vijayaraghavan, K., Wu, S. Y., Chen, S. Y.,
Knipping, E. M., and Kumar, N.: Modeling regional haze in the BRAVO study
using CMAQ-MADRID: 1. Model evaluation, J. Geophys. Res.-Atmos., 111,
1–25, https://doi.org/10.1029/2004JD005608, 2006a.
Pun, B. K., Seigneur, C., and Lohman, K.: Modeling secondary organic aerosol
formation via multiphase partitioning with molecular data, Environ. Sci.
Technol., 40, 4722–4731, https://doi.org/10.1021/es0522736, 2006b.
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.
Rissanen, M. P., Kurtén, T., Sipilä, M., Thornton, J. A., Kausiala,
O., Garmash, O., Kjaergaard, H. G., Petäjä, T., Worsnop, D. R., Ehn,
M., and Kulmala, M.: Effects of chemical complexity on the autoxidation
mechanisms of endocyclic alkene ozonolysis products: From methylcyclohexenes
toward understanding? α-pinene, J. Phys. Chem. A, 119,
4633–4650, https://doi.org/10.1021/jp510966g, 2015.
Robinson, A. L., Donahue, N. M., Shrivastava, M. K., Weitkamp, E. A., Sage,
A. M., Grieshop, A. P., Lane, T. E., Pierce, J. R., and Pandis, S. N.:
Rethinking Organic Aerosols: Semivolatile Emissions and Photochemical Aging,
Science, 315, 1259–1262,
https://doi.org/10.1126/science.1133061, 2007.
Rudich, Y., Donahue, N. M., and Mentel, T. F.: Aging of Organic Aerosol:
Bridging the Gap Between Laboratory and Field Studies, Annu. Rev. Phys.
Chem., 58, 321–352,
https://doi.org/10.1146/annurev.physchem.58.032806.104432, 2007.
Sarwar, G., Godowitch, J., Henderson, B. H., Fahey, K., Pouliot, G., Hutzell, W. T., Mathur, R., Kang, D., Goliff, W. S., and Stockwell, W. R.: A comparison of atmospheric composition using the Carbon Bond and Regional Atmospheric Chemistry Mechanisms, Atmos. Chem. Phys., 13, 9695–9712, https://doi.org/10.5194/acp-13-9695-2013, 2013.
Schauer, J. J., Kleeman, M. J., Cass, G. R., and Simoneit, B. R. T.:
Measurement of emissions from air pollution sources. 2. C1 through C30
organic compounds from medium duty diesel trucks, Environ. Sci. Technol.,
33, 1578–1587, https://doi.org/10.1021/es980081n, 1999.
Schauer, J. J., Kleeman, M. J., Cass, G. R., and Simoneit, B. R. T.:
Measurement of emissions from air pollution sources. 5. C1–C32 organic
compounds from gasoline-powered motor vehicles, Environ. Sci. Technol.,
36, 1169–1180, https://doi.org/10.1021/es0108077, 2002.
Schell, B., Ackermann, I. J., Hass, H., Binkowski, F. S., and Ebel, A.:
Modeling the formation of secondary organic aerosol within a comprehensive
air quality model system, J. Geophys. Res.-Atmos., 106, 28275–28293,
https://doi.org/10.1029/2001JD000384, 2001.
Schmidt, H., Derognat, C., Vautard, R., and Beekmann, M.: A comparison of
simulated and observed ozone mixing ratios for the summer of 1998 in Western
Europe, Atmos. Environ., 35, 6277–6297,
https://doi.org/10.1016/S1352-2310(01)00451-4, 2001.
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,
https://doi.org/10.1039/c3cp51595h, 2013.
Solazzo, E., Bianconi, R., Pirovano, G., Matthias, V., Vautard, R., Moran,
M. D., Wyat Appel, K., Bessagnet, B., Brandt, J., Christensen, J. H.,
Chemel, C., Coll, I., Ferreira, J., Forkel, R., Francis, X. V, Grell, G.,
Grossi, P., Hansen, A. B., Miranda, A. I., Nopmongcol, U., Prank, M.,
Sartelet, K. N., Schaap, M., Silver, J. D., Sokhi, R. S., Vira, J., Werhahn,
J., Wolke, R., Yarwood, G., Zhang, J., Rao, S. T., and Galmarini, S.:
Operational model evaluation for particulate matter in Europe and North
America in the context of AQMEII, Atmos. Environ., 53, 75–92,
https://doi.org/10.1016/j.atmosenv.2012.02.045, 2012.
Surratt, J. D., Chan, A. W. H., Eddingsaas, N. C., Chan, M., Loza, C. L.,
Kwan, A. J., Hersey, S. P., Flagan, R. C., Wennberg, P. O., and Seinfeld, J.
H.: Reactive intermediates revealed in secondary organic aerosol formation
from isoprene, P. Natl. Acad. Sci. USA, 107, 6640–6645,
https://doi.org/10.1073/pnas.0911114107, 2010.
Tørseth, K., Aas, W., Breivik, K., Fjæraa, A. M., Fiebig, M., Hjellbrekke, A. G., Lund Myhre, C., Solberg, S., and Yttri, K. E.: Introduction to the European Monitoring and Evaluation Programme (EMEP) and observed atmospheric composition change during 1972–2009, Atmos. Chem. Phys., 12, 5447–5481, https://doi.org/10.5194/acp-12-5447-2012, 2012.
Trump, E. R. and Donahue, N. M.: Oligomer formation within secondary organic aerosols: equilibrium and dynamic considerations, Atmos. Chem. Phys., 14, 3691–3701, https://doi.org/10.5194/acp-14-3691-2014, 2014.
Tsigaridis, K., Daskalakis, N., Kanakidou, M., Adams, P. J., Artaxo, P., Bahadur, R., Balkanski, Y., Bauer, S. E., Bellouin, N., Benedetti, A., Bergman, T., Berntsen, T. K., Beukes, J. P., Bian, H., Carslaw, K. S., Chin, M., Curci, G., Diehl, T., Easter, R. C., Ghan, S. J., Gong, S. L., Hodzic, A., Hoyle, C. R., Iversen, T., Jathar, S., Jimenez, J. L., Kaiser, J. W., Kirkevåg, A., Koch, D., Kokkola, H., Lee, Y. H., Lin, G., Liu, X., Luo, G., Ma, X., Mann, G. W., Mihalopoulos, N., Morcrette, J.-J., Müller, J.-F., Myhre, G., Myriokefalitakis, S., Ng, N. L., O'Donnell, D., Penner, J. E., Pozzoli, L., Pringle, K. J., Russell, L. M., Schulz, M., Sciare, J., Seland, Ø., Shindell, D. T., Sillman, S., Skeie, R. B., Spracklen, D., Stavrakou, T., Steenrod, S. D., Takemura, T., Tiitta, P., Tilmes, S., Tost, H., van Noije, T., van Zyl, P. G., von Salzen, K., Yu, F., Wang, Z., Wang, Z., Zaveri, R. A., Zhang, H., Zhang, K., Zhang, Q., and Zhang, X.: The AeroCom evaluation and intercomparison of organic aerosol in global models, Atmos. Chem. Phys., 14, 10845–10895, https://doi.org/10.5194/acp-14-10845-2014, 2014.
Tsimpidi, A. P., Karydis, V. A., Zavala, M., Lei, W., Molina, L., Ulbrich, I. M., Jimenez, J. L., and Pandis, S. N.: Evaluation of the volatility basis-set approach for the simulation of organic aerosol formation in the Mexico City metropolitan area, Atmos. Chem. Phys., 10, 525–546, https://doi.org/10.5194/acp-10-525-2010, 2010.
Valorso, R., Aumont, B., Camredon, M., Raventos-Duran, T., Mouchel-Vallon, C., Ng, N. L., Seinfeld, J. H., Lee-Taylor, J., and Madronich, S.: Explicit modelling of SOA formation from α-pinene photooxidation: sensitivity to vapour pressure estimation, Atmos. Chem. Phys., 11, 6895–6910, https://doi.org/10.5194/acp-11-6895-2011, 2011.
Vestreng, V.: Review and revision, emission data reported to CLRTAP, MSC-W Status Report 2003, 134, available at:
http://tfeip-secretariat.org/assets/Meetings/Documents/Previous-Meetings/Poland-Sept-2003/ReviewandrevisionMSCWStatusReport2003.pdf (last access: 20 April 2020),
2003.
Volkamer, R., Jimenez, J. L., San Martini, F., Dzepina, K., Zhang, Q.,
Salcedo, D., Molina, L. T., Worsnop, D. R., and Molina, M. J.: Secondary
organic aerosol formation from anthropogenic air pollution: Rapid and higher
than expected, Geophys. Res. Lett., 33, L17811,
https://doi.org/10.1029/2006GL026899, 2006.
Wang, S., Wu, R., Berndt, T., Ehn, M., and Wang, L.: Formation of Highly
Oxidized Radicals and Multifunctional Products from the Atmospheric
Oxidation of Alkylbenzenes, Environ. Sci. Technol., 51, 8442–8449,
https://doi.org/10.1021/acs.est.7b02374, 2017.
Wesely, M. L.: Parameterization of surface resistances to gaseous dry
deposition in regional-scale numerical models, Atmos. Environ., 23,
1293–1304, https://doi.org/10.1016/0004-6981(89)90153-4, 1989.
WHO Regional Office for Europe and OECD: Economic cost of the health impact of air pollution in Europe: Clean air, health and wealth, WHO Regional Office for Europe, Copenhagen, Denmark, 2015.
Woody, M. C., West, J. J., Jathar, S. H., Robinson, A. L., and Arunachalam, S.: Estimates of non-traditional secondary organic aerosols from aircraft SVOC and IVOC emissions using CMAQ, Atmos. Chem. Phys., 15, 6929–6942, https://doi.org/10.5194/acp-15-6929-2015, 2015.
Woody, M. C., Baker, K. R., Hayes, P. L., Jimenez, J. L., Koo, B., and Pye, H. O. T.: Understanding sources of organic aerosol during CalNex-2010 using the CMAQ-VBS, Atmos. Chem. Phys., 16, 4081–4100, https://doi.org/10.5194/acp-16-4081-2016, 2016.
Zhao, Y., Nguyen, N. T., Presto, A. A., Hennigan, C. J., May, A. A., and
Robinson, A. L.: Intermediate Volatility Organic Compound Emissions from
On-Road Diesel Vehicles: Chemical Composition, Emission Factors, and
Estimated Secondary Organic Aerosol Production, Environ. Sci. Technol.,
49, 11516–11526, https://doi.org/10.1021/acs.est.5b02841, 2015.
Zhao, Y., Nguyen, N. T., Presto, A. A., Hennigan, C. J., May, A. A., and
Robinson, A. L.: Intermediate Volatility Organic Compound Emissions from
On-Road Gasoline Vehicles and Small Off-Road Gasoline Engines, Environ. Sci.
Technol., 50, 4554–4563, https://doi.org/10.1021/acs.est.5b06247, 2016.
Zhu, S., Sartelet, K. N., Healy, R. M., and Wenger, J. C.: 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, 2016a.
Zhu, S., Sartelet, K., Zhang, Y., and Nenes, A.: Three-dimensional modeling
of the mixing state of particles over Greater Paris, J. Geophys. Res.-Atmos., 121, 5930–5947, https://doi.org/10.1002/2015JD024241, 2016b.
Short summary
Large uncertainties remain in modeling secondary organic aerosol (SOA) and evolution and properties in air quality models. In this article, the recently developed VBS-GECKO parameterization for SOA formation has been implemented in the air quality model CHIMERE. Simulations have been driven to identify the main SOA sources and to evaluate the sensitivity of simulated SOA concentrations to (i) secondary organic compound properties and (ii) emissions from traffic and transportation sources.
Large uncertainties remain in modeling secondary organic aerosol (SOA) and evolution and...
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