Articles | Volume 17, issue 10
https://doi.org/10.5194/gmd-17-4311-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/gmd-17-4311-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Development and technical paper
| 
24 May 2024
Development and technical paper |
| 24 May 2024
| 24 May 2024
Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.7.0)
Felix Wieser
CORRESPONDING AUTHOR
Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Jülich GmbH, Jülich, Germany
Rolf Sander
Atmospheric Chemistry Department, Max Planck Institute for Chemistry, Mainz, Germany
Changmin Cho
Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Jülich GmbH, Jülich, Germany
now at: Atmospheric Chemistry Observations and Modeling Laboratory, National Center for Atmospheric Research, Boulder, CO, USA
Hendrik Fuchs
Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Jülich GmbH, Jülich, Germany
Department of Physics, University of Cologne, Cologne, Germany
Thorsten Hohaus
Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Jülich GmbH, Jülich, Germany
Anna Novelli
Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Jülich GmbH, Jülich, Germany
Ralf Tillmann
Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Jülich GmbH, Jülich, Germany
Domenico Taraborrelli
CORRESPONDING AUTHOR
Institute of Energy and Climate Research, IEK-8: Troposphere, Forschungszentrum Jülich GmbH, Jülich, Germany
Related authors
No articles found.
Susanne M. C. Scholz, Vlassis A. Karydis, Georgios I. Gkatzelis, Hendrik Fuchs, Spyros N. Pandis, and Alexandra P. Tsimpidi
EGUsphere, https://doi.org/10.5194/egusphere-2025-2510, https://doi.org/10.5194/egusphere-2025-2510, 2025
This preprint is open for discussion and under review for Geoscientific Model Development (GMD).
Short summary
Short summary
We studied how pollution from cars and trucks contributes to tiny airborne particles that affect air quality and climate. These particles, called secondary organic aerosols, were often underestimated in global models. By improving how certain overlooked emissions from fuel use are represented in our model, we found that their impact is much larger than previously thought. Our results suggest that road traffic plays a far greater role in global air pollution than earlier estimates showed.
Simone T. Andersen, Rolf Sander, Patrick Dewald, Laura Wüst, Tobias Seubert, Gunther N. T. E. Türk, Jan Schuladen, Max R. McGillen, Chaoyang Xue, Abdelwahid Mellouki, Alexandre Kukui, Vincent Michoud, Manuela Cirtog, Mathieu Cazaunau, Astrid Bauville, Hichem Bouzidi, Paola Formenti, Cyrielle Denjean, Jean-Claude Etienne, Olivier Garrouste, Christopher Cantrell, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 25, 5893–5909, https://doi.org/10.5194/acp-25-5893-2025, https://doi.org/10.5194/acp-25-5893-2025, 2025
Short summary
Short summary
Measurements and modelling of reactive nitrogen gases observed in a suburban temperate forest in Rambouillet, France, circa 50 km southwest of Paris in 2022 indicate that the biosphere rapidly scavenges organic nitrates of mixed biogenic and anthropogenic origin, resulting in short lifetimes for, for example, alkyl nitrates and peroxy nitrates.
Alexander Hermanns, Anne Caroline Lange, Julia Kowalski, Hendrik Fuchs, and Philipp Franke
EGUsphere, https://doi.org/10.5194/egusphere-2025-450, https://doi.org/10.5194/egusphere-2025-450, 2025
This preprint is open for discussion and under review for Geoscientific Model Development (GMD).
Short summary
Short summary
For air quality analyses, data assimilation models split available data into assimilation and validation data sets. The former is used to generate the analysis, the latter to verify the simulations. A preprocessor classifying the observations by the data characteristics is developed based on clustering algorithms. The assimilation and validation data sets are compiled by equally allocating data of each cluster. The resulting improvement of the analysis is evaluated with EURAD-IM.
Battist Utinger, Alexandre Barth, Andreas Paul, Arya Mukherjee, Steven John Campbell, Christa-Maria Müller, Mika Ihalainen, Pasi Yli-Pirilä, Miika Kortelainen, Zheng Fang, Patrick Martens, Markus Somero, Juho Louhisalmi, Thorsten Hohaus, Hendryk Czech, Olli Sippula, Yinon Rudich, Ralf Zimmermann, and Markus Kalberer
Aerosol Research, 3, 205–218, https://doi.org/10.5194/ar-3-205-2025, https://doi.org/10.5194/ar-3-205-2025, 2025
Short summary
Short summary
The oxidative potential (OP) of air pollution particles might be a metric explaining particle toxicity. This study quantifies the OP of fresh and aged car and wood burning emission particles and explores how the OP changes over time, using novel high-temporal-resolution instruments. We show that emissions from wood burning are more toxic than car exhaust per unit particle mass, especially as they age in the atmosphere. We also calculate emission factors for the OP, which could help to improve air pollution policies.
Michael Rolletter, Andreas Hofzumahaus, Anna Novelli, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 25, 3481–3502, https://doi.org/10.5194/acp-25-3481-2025, https://doi.org/10.5194/acp-25-3481-2025, 2025
Short summary
Short summary
Highly accurate rate coefficients of termolecular reactions between OH and HO2 radicals and reactive nitrogen oxides were measured for conditions in the lower troposphere, providing improved constraints on recommended values. No dependence on water vapour was found except for the HO2+NO2 reaction, which can be explained by an enhanced rate coefficient of the NO2 reaction with the water complex of the HO2 radical.
Astrid Kerkweg, Timo Kirfel, Duong H. Do, Sabine Griessbach, Patrick Jöckel, and Domenico Taraborrelli
Geosci. Model Dev., 18, 1265–1286, https://doi.org/10.5194/gmd-18-1265-2025, https://doi.org/10.5194/gmd-18-1265-2025, 2025
Short summary
Short summary
Normally, the Modular Earth Submodel System (MESSy) is linked to complete dynamic models to create chemical climate models. However, the modular concept of MESSy and the newly developed DWARF component presented here make it possible to create simplified models that contain only one or a few process descriptions. This is very useful for technical optimisation, such as porting to GPUs, and can be used to create less complex models, such as a chemical box model.
Hendrik Fuchs, Aaron Stainsby, Florian Berg, René Dubus, Michelle Färber, Andreas Hofzumahaus, Frank Holland, Kelvin H. Bates, Steven S. Brown, Matthew M. Coggon, Glenn S. Diskin, Georgios I. Gkatzelis, Christopher M. Jernigan, Jeff Peischl, Michael A. Robinson, Andrew W. Rollins, Nell B. Schafer, Rebecca H. Schwantes, Chelsea E. Stockwell, Patrick R. Veres, Carsten Warneke, Eleanor M. Waxman, Lu Xu, Kristen Zuraski, Andreas Wahner, and Anna Novelli
Atmos. Meas. Tech., 18, 881–895, https://doi.org/10.5194/amt-18-881-2025, https://doi.org/10.5194/amt-18-881-2025, 2025
Short summary
Short summary
Significant improvements have been made to the instruments used to measure OH reactivity, which is equivalent to the sum of air pollutant concentrations. Accurate and precise measurements with a high time resolution have been achieved, allowing use on aircraft, as demonstrated during flights in the USA.
Alexandros Milousis, Susanne M. C. Scholz, Hendrik Fuchs, Alexandra P. Tsimpidi, and Vlassis A. Karydis
EGUsphere, https://doi.org/10.5194/egusphere-2025-313, https://doi.org/10.5194/egusphere-2025-313, 2025
Short summary
Short summary
Nitrate aerosol has become a dominant atmospheric component, surpassing sulfate in aerosol composition. However, its simulation remains challenging due to complex formation processes and regional variability. We use the EMAC model to assess key factors in nitrate aerosol predictions. Increasing grid resolution, reducing N2O5 hydrolysis uptake, and refined emissions improve PM2.5 predictions, but PM1 remains underestimated. Seasonal & diurnal discrepancies persist, requiring further refinements.
Anni Hartikainen, Mika Ihalainen, Deeksha Shukla, Marius Rohkamp, Arya Mukherjee, Quanfu He, Sandra Piel, Aki Virkkula, Delun Li, Tuukka Kokkola, Seongho Jeong, Hanna Koponen, Uwe Etzien, Anusmita Das, Krista Luoma, Lukas Schwalb, Thomas Gröger, Alexandre Barth, Martin Sklorz, Thorsten Streibel, Hendryk Czech, Benedikt Gündling, Markus Kalberer, Bert Buchholz, Andreas Hupfer, Thomas Adam, Thorsten Hohaus, Johan Øvrevik, Ralf Zimmermann, and Olli Sippula
EGUsphere, https://doi.org/10.5194/egusphere-2024-3836, https://doi.org/10.5194/egusphere-2024-3836, 2025
Short summary
Short summary
Photochemical reactions altered the properties of kerosene-operated jet engine burner exhaust emissions, which were studied in laboratory using an oxidation flow reactor. Particle mass increased 300-fold as particles and gases became more oxidized. Light absorption increased, but the total direct radiative forcing efficiency was estimated to shift from positive to negative. The results highlight the importance of considering secondary aerosol formation when assessing the impacts of aviation.
Raphael Dreger, Timo Kirfel, Andrea Pozzer, Simon Rosanka, Rolf Sander, and Domenico Taraborrelli
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2024-166, https://doi.org/10.5194/gmd-2024-166, 2025
Revised manuscript accepted for GMD
Short summary
Short summary
Model simulations are essentials for understanding the interactions between atmospheric composition and weather. However, models including chemistry are very slow. Hence, any computation speedup of such models is important for advancing the understanding of interactions within the Earth System. In this study we analysed and optimized the time stepping for chemistry calculations. Our results show that atmospheric chemistry models could be run notably faster without any loss in the accuracy.
Hassnae Erraji, Philipp Franke, Astrid Lampert, Tobias Schuldt, Ralf Tillmann, Andreas Wahner, and Anne Caroline Lange
Atmos. Chem. Phys., 24, 13913–13934, https://doi.org/10.5194/acp-24-13913-2024, https://doi.org/10.5194/acp-24-13913-2024, 2024
Short summary
Short summary
Four-dimensional variational data assimilation allows for the simultaneous optimisation of initial values and emission rates by using trace-gas profiles from drone observations in a regional air quality model. Assimilated profiles positively impact the representation of air pollutants in the model by improving their vertical distribution and ground-level concentrations. This case study highlights the potential of drone data to enhance air quality analyses including local emission evaluation.
Florian Berg, Anna Novelli, René Dubus, Andreas Hofzumahaus, Frank Holland, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 24, 13715–13731, https://doi.org/10.5194/acp-24-13715-2024, https://doi.org/10.5194/acp-24-13715-2024, 2024
Short summary
Short summary
This study reports temperature-dependent rate coefficients of the reaction of atmospherically relevant hydrocarbons from biogenic sources (methyl vinyl ketones and monoterpenes) and anthropogenic sources (alkanes and aromatics). Measurements were done at atmospheric conditions (ambient pressure and temperature range) in air.
Junwei Song, Georgios I. Gkatzelis, Ralf Tillmann, Nicolas Brüggemann, Thomas Leisner, and Harald Saathoff
Atmos. Chem. Phys., 24, 13199–13217, https://doi.org/10.5194/acp-24-13199-2024, https://doi.org/10.5194/acp-24-13199-2024, 2024
Short summary
Short summary
Biogenic volatile organic compounds (BVOCs) and organic aerosol (OA) particles were measured online in a stressed spruce-dominated forest. OA was mainly attributed to the monoterpene oxidation products. The mixing ratios of BVOCs were higher than the values previously measured in other temperate forests. The results demonstrate that BVOCs are influenced not only by meteorology and biogenic emissions but also by local anthropogenic emissions and subsequent chemical transformation processes.
Yasin Elshorbany, Jerald R. Ziemke, Sarah Strode, Hervé Petetin, Kazuyuki Miyazaki, Isabelle De Smedt, Kenneth Pickering, Rodrigo J. Seguel, Helen Worden, Tamara Emmerichs, Domenico Taraborrelli, Maria Cazorla, Suvarna Fadnavis, Rebecca R. Buchholz, Benjamin Gaubert, Néstor Y. Rojas, Thiago Nogueira, Thérèse Salameh, and Min Huang
Atmos. Chem. Phys., 24, 12225–12257, https://doi.org/10.5194/acp-24-12225-2024, https://doi.org/10.5194/acp-24-12225-2024, 2024
Short summary
Short summary
We investigated tropospheric ozone spatial variability and trends from 2005 to 2019 and related those to ozone precursors on global and regional scales. We also investigate the spatiotemporal characteristics of the ozone formation regime in relation to ozone chemical sources and sinks. Our analysis is based on remote sensing products of the tropospheric column of ozone and its precursors, nitrogen dioxide, formaldehyde, and total column CO, as well as ozonesonde data and model simulations.
Suvarna Fadnavis, Yasin Elshorbany, Jerald Ziemke, Brice Barret, Alexandru Rap, P. R. Satheesh Chandran, Richard Pope, Vijay Sagar, Domenico Taraborrelli, Eric Le Flochmoen, Juan Cuesta, Catherine Wespes, Folkert Boersma, Isolde Glissenaar, Isabelle De Smedt, Michel Van Roozendael, Hervé Petetin, and Isidora Anglou
EGUsphere, https://doi.org/10.5194/egusphere-2024-3050, https://doi.org/10.5194/egusphere-2024-3050, 2024
Short summary
Short summary
Satellites and model simulations show enhancement in tropospheric ozone, which is highly impacted by human-produced Nitrous oxides compared to volatile organic compounds. The increased amount of ozone enhances ozone radiative forcing. The ozone enhancement and associated radiative forcing are highest over South and East Asia. The emissions of Nitrous oxides show a higher influence in shifting ozone photochemical regimes than volatile organic compounds.
Tamara Emmerichs, Yen-Sen Lu, and Domenico Taraborrelli
Biogeosciences, 21, 3251–3269, https://doi.org/10.5194/bg-21-3251-2024, https://doi.org/10.5194/bg-21-3251-2024, 2024
Short summary
Short summary
We assess the representation of the plant response to surface water in a global atmospheric chemistry model. This sensitivity is crucial for the return of precipitation back into the atmosphere and thus significantly impacts the representation of weather as well as air quality. The newly implemented response function reduces this process and has a better comparison with satellite observations. This yields a higher intensity of unusual warm periods and higher production of air pollutants.
Hengheng Zhang, Christian Rolf, Ralf Tillmann, Christian Wesolek, Frank Gunther Wienhold, Thomas Leisner, and Harald Saathoff
Aerosol Research, 2, 135–151, https://doi.org/10.5194/ar-2-135-2024, https://doi.org/10.5194/ar-2-135-2024, 2024
Short summary
Short summary
Our study employs advanced tools, including scanning lidar, balloons, and UAVs, to explore aerosol particles in the atmosphere. The scanning lidar offers distinctive near-ground-level insights, enriching our comprehension of aerosol distribution from ground level to the free troposphere. This research provides valuable data for comparing remote sensing and in situ aerosol measurements, advancing our understanding of aerosol impacts on radiative transfer, clouds, and air quality.
Yarê Baker, Sungah Kang, Hui Wang, Rongrong Wu, Jian Xu, Annika Zanders, Quanfu He, Thorsten Hohaus, Till Ziehm, Veronica Geretti, Thomas J. Bannan, Simon P. O'Meara, Aristeidis Voliotis, Mattias Hallquist, Gordon McFiggans, Sören R. Zorn, Andreas Wahner, and Thomas F. Mentel
Atmos. Chem. Phys., 24, 4789–4807, https://doi.org/10.5194/acp-24-4789-2024, https://doi.org/10.5194/acp-24-4789-2024, 2024
Short summary
Short summary
Highly oxygenated organic molecules are important contributors to secondary organic aerosol. Their yield depends on detailed atmospheric chemical composition. One important parameter is the ratio of hydroperoxy radicals to organic peroxy radicals (HO2/RO2), and we show that higher HO2/RO2 ratios lower the secondary organic aerosol yield. This is of importance as laboratory studies are often biased towards organic peroxy radicals.
Simon Rosanka, Holger Tost, Rolf Sander, Patrick Jöckel, Astrid Kerkweg, and Domenico Taraborrelli
Geosci. Model Dev., 17, 2597–2615, https://doi.org/10.5194/gmd-17-2597-2024, https://doi.org/10.5194/gmd-17-2597-2024, 2024
Short summary
Short summary
The capabilities of the Modular Earth Submodel System (MESSy) are extended to account for non-equilibrium aqueous-phase chemistry in the representation of deliquescent aerosols. When applying the new development in a global simulation, we find that MESSy's bias in modelling routinely observed reduced inorganic aerosol mass concentrations, especially in the United States. Furthermore, the representation of fine-aerosol pH is particularly improved in the marine boundary layer.
Rolf Sander
Geosci. Model Dev., 17, 2419–2425, https://doi.org/10.5194/gmd-17-2419-2024, https://doi.org/10.5194/gmd-17-2419-2024, 2024
Short summary
Short summary
The open-source software MEXPLORER 1.0.0 is presented here. The program can be used to analyze, reduce, and visualize complex chemical reaction mechanisms. The mathematics behind the tool is based on graph theory: chemical species are represented as vertices, and reactions as edges. MEXPLORER is a community model published under the GNU General Public License.
Meghna Soni, Rolf Sander, Lokesh K. Sahu, Domenico Taraborrelli, Pengfei Liu, Ankit Patel, Imran A. Girach, Andrea Pozzer, Sachin S. Gunthe, and Narendra Ojha
Atmos. Chem. Phys., 23, 15165–15180, https://doi.org/10.5194/acp-23-15165-2023, https://doi.org/10.5194/acp-23-15165-2023, 2023
Short summary
Short summary
The study presents the implementation of comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA. Simulations for contrasting urban environments of Asia and Europe highlight the significant impacts of chlorine on atmospheric oxidation capacity and composition. Chemical processes governing the production and loss of chlorine-containing species has been discussed. The updated chemical mechanism will be useful to interpret field measurements and for future air quality studies.
Jacky Y. S. Pang, Florian Berg, Anna Novelli, Birger Bohn, Michelle Färber, Philip T. M. Carlsson, René Dubus, Georgios I. Gkatzelis, Franz Rohrer, Sergej Wedel, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 23, 12631–12649, https://doi.org/10.5194/acp-23-12631-2023, https://doi.org/10.5194/acp-23-12631-2023, 2023
Short summary
Short summary
In this study, the oxidations of sabinene by OH radicals and ozone were investigated with an atmospheric simulation chamber. Reaction rate coefficients of the OH-oxidation reaction at temperatures between 284 to 340 K were determined for the first time in the laboratory by measuring the OH reactivity. Product yields determined in chamber experiments had good agreement with literature values, but discrepancies were found between experimental yields and expected yields from oxidation mechanisms.
Rolf Sander
Atmos. Chem. Phys., 23, 10901–12440, https://doi.org/10.5194/acp-23-10901-2023, https://doi.org/10.5194/acp-23-10901-2023, 2023
Short summary
Short summary
According to Henry's law, the equilibrium ratio between the abundances in the gas phase and in the aqueous phase is constant for a dilute solution. Henry’s law constants of trace gases of potential importance in environmental chemistry have been collected and converted into a uniform format. The compilation contains 46 434 values of Henry's law constants for 10 173 species, collected from 995 references. It is also available on the internet at https://www.henrys-law.org.
Marc von Hobe, Domenico Taraborrelli, Sascha Alber, Birger Bohn, Hans-Peter Dorn, Hendrik Fuchs, Yun Li, Chenxi Qiu, Franz Rohrer, Roberto Sommariva, Fred Stroh, Zhaofeng Tan, Sergej Wedel, and Anna Novelli
Atmos. Chem. Phys., 23, 10609–10623, https://doi.org/10.5194/acp-23-10609-2023, https://doi.org/10.5194/acp-23-10609-2023, 2023
Short summary
Short summary
The trace gas carbonyl sulfide (OCS) transports sulfur from the troposphere to the stratosphere, where sulfate aerosols are formed that influence climate and stratospheric chemistry. An uncertain OCS source in the troposphere is chemical production form dimethyl sulfide (DMS), a gas released in large quantities from the oceans. We carried out experiments in a large atmospheric simulation chamber to further elucidate the chemical mechanism of OCS production from DMS.
Hao Luo, Luc Vereecken, Hongru Shen, Sungah Kang, Iida Pullinen, Mattias Hallquist, Hendrik Fuchs, Andreas Wahner, Astrid Kiendler-Scharr, Thomas F. Mentel, and Defeng Zhao
Atmos. Chem. Phys., 23, 7297–7319, https://doi.org/10.5194/acp-23-7297-2023, https://doi.org/10.5194/acp-23-7297-2023, 2023
Short summary
Short summary
Oxidation of limonene, an element emitted by trees and chemical products, by OH, a daytime oxidant, forms many highly oxygenated organic molecules (HOMs), including C10-20 compounds. HOMs play an important role in new particle formation and growth. HOM formation can be explained by the chemistry of peroxy radicals. We found that a minor branching ratio initial pathway plays an unexpected, significant role. Considering this pathway enables accurate simulations of HOMs and other concentrations.
Philip T. M. Carlsson, Luc Vereecken, Anna Novelli, François Bernard, Steven S. Brown, Bellamy Brownwood, Changmin Cho, John N. Crowley, Patrick Dewald, Peter M. Edwards, Nils Friedrich, Juliane L. Fry, Mattias Hallquist, Luisa Hantschke, Thorsten Hohaus, Sungah Kang, Jonathan Liebmann, Alfred W. Mayhew, Thomas Mentel, David Reimer, Franz Rohrer, Justin Shenolikar, Ralf Tillmann, Epameinondas Tsiligiannis, Rongrong Wu, Andreas Wahner, Astrid Kiendler-Scharr, and Hendrik Fuchs
Atmos. Chem. Phys., 23, 3147–3180, https://doi.org/10.5194/acp-23-3147-2023, https://doi.org/10.5194/acp-23-3147-2023, 2023
Short summary
Short summary
The investigation of the night-time oxidation of the most abundant hydrocarbon, isoprene, in chamber experiments shows the importance of reaction pathways leading to epoxy products, which could enhance particle formation, that have so far not been accounted for. The chemical lifetime of organic nitrates from isoprene is long enough for the majority to be further oxidized the next day by daytime oxidants.
Changmin Cho, Hendrik Fuchs, Andreas Hofzumahaus, Frank Holland, William J. Bloss, Birger Bohn, Hans-Peter Dorn, Marvin Glowania, Thorsten Hohaus, Lu Liu, Paul S. Monks, Doreen Niether, Franz Rohrer, Roberto Sommariva, Zhaofeng Tan, Ralf Tillmann, Astrid Kiendler-Scharr, Andreas Wahner, and Anna Novelli
Atmos. Chem. Phys., 23, 2003–2033, https://doi.org/10.5194/acp-23-2003-2023, https://doi.org/10.5194/acp-23-2003-2023, 2023
Short summary
Short summary
With this study, we investigated the processes leading to the formation, destruction, and recycling of radicals for four seasons in a rural environment. Complete knowledge of their chemistry is needed if we are to predict the formation of secondary pollutants from primary emissions. The results highlight a still incomplete understanding of the paths leading to the formation of the OH radical, which has been observed in several other environments as well and needs to be further investigated.
Flora Kluge, Tilman Hüneke, Christophe Lerot, Simon Rosanka, Meike K. Rotermund, Domenico Taraborrelli, Benjamin Weyland, and Klaus Pfeilsticker
Atmos. Chem. Phys., 23, 1369–1401, https://doi.org/10.5194/acp-23-1369-2023, https://doi.org/10.5194/acp-23-1369-2023, 2023
Short summary
Short summary
Using airborne glyoxal concentration and vertical column density measurements, vertical profiles are inferred for eight global regions in aged biomass burning plumes and the tropical marine boundary layer. Using TROPOMI observations, an analysis of space- and airborne measurements is performed. A comparison to EMAC simulations shows a general glyoxal underprediction, which points to various missing sources and precursors from anthropogenic activities, biomass burning, and the sea surface.
Tobias Schuldt, Georgios I. Gkatzelis, Christian Wesolek, Franz Rohrer, Benjamin Winter, Thomas A. J. Kuhlbusch, Astrid Kiendler-Scharr, and Ralf Tillmann
Atmos. Meas. Tech., 16, 373–386, https://doi.org/10.5194/amt-16-373-2023, https://doi.org/10.5194/amt-16-373-2023, 2023
Short summary
Short summary
We report in situ measurements of air pollutant concentrations within the planetary boundary layer on board a Zeppelin NT in Germany. We highlight the in-flight evaluation of electrochemical sensors that were installed inside a hatch box located on the bottom of the Zeppelin. Results from this work emphasize the potential of these sensors for other in situ airborne applications, e.g., on board unmanned aerial vehicles (UAVs).
Zhaofeng Tan, Hendrik Fuchs, Andreas Hofzumahaus, William J. Bloss, Birger Bohn, Changmin Cho, Thorsten Hohaus, Frank Holland, Chandrakiran Lakshmisha, Lu Liu, Paul S. Monks, Anna Novelli, Doreen Niether, Franz Rohrer, Ralf Tillmann, Thalassa S. E. Valkenburg, Vaishali Vardhan, Astrid Kiendler-Scharr, Andreas Wahner, and Roberto Sommariva
Atmos. Chem. Phys., 22, 13137–13152, https://doi.org/10.5194/acp-22-13137-2022, https://doi.org/10.5194/acp-22-13137-2022, 2022
Short summary
Short summary
During the 2019 JULIAC campaign, ClNO2 was measured at a rural site in Germany in different seasons. The highest ClNO2 level was 1.6 ppbv in September. ClNO2 production was more sensitive to the availability of NO2 than O3. The average ClNO2 production efficiency was up to 18 % in February and September and down to 3 % in December. These numbers are at the high end of the values reported in the literature, indicating the importance of ClNO2 chemistry in rural environments in midwestern Europe.
Yindong Guo, Hongru Shen, Iida Pullinen, Hao Luo, Sungah Kang, Luc Vereecken, Hendrik Fuchs, Mattias Hallquist, Ismail-Hakki Acir, Ralf Tillmann, Franz Rohrer, Jürgen Wildt, Astrid Kiendler-Scharr, Andreas Wahner, Defeng Zhao, and Thomas F. Mentel
Atmos. Chem. Phys., 22, 11323–11346, https://doi.org/10.5194/acp-22-11323-2022, https://doi.org/10.5194/acp-22-11323-2022, 2022
Short summary
Short summary
The oxidation of limonene, a common volatile emitted by trees and chemical products, by NO3, a nighttime oxidant, forms many highly oxygenated organic molecules (HOM), including C10-30 compounds. Most of the HOM are second-generation organic nitrates, in which carbonyl-substituted C10 nitrates accounted for a major fraction. Their formation can be explained by chemistry of peroxy radicals. HOM, especially low-volatile ones, play an important role in nighttime new particle formation and growth.
Jacky Yat Sing Pang, Anna Novelli, Martin Kaminski, Ismail-Hakki Acir, Birger Bohn, Philip T. M. Carlsson, Changmin Cho, Hans-Peter Dorn, Andreas Hofzumahaus, Xin Li, Anna Lutz, Sascha Nehr, David Reimer, Franz Rohrer, Ralf Tillmann, Robert Wegener, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 22, 8497–8527, https://doi.org/10.5194/acp-22-8497-2022, https://doi.org/10.5194/acp-22-8497-2022, 2022
Short summary
Short summary
This study investigates the radical chemical budget during the limonene oxidation at different atmospheric-relevant NO concentrations in chamber experiments under atmospheric conditions. It is found that the model–measurement discrepancies of HO2 and RO2 are very large at low NO concentrations that are typical for forested environments. Possible additional processes impacting HO2 and RO2 concentrations are discussed.
Ralf Tillmann, Georgios I. Gkatzelis, Franz Rohrer, Benjamin Winter, Christian Wesolek, Tobias Schuldt, Anne C. Lange, Philipp Franke, Elmar Friese, Michael Decker, Robert Wegener, Morten Hundt, Oleg Aseev, and Astrid Kiendler-Scharr
Atmos. Meas. Tech., 15, 3827–3842, https://doi.org/10.5194/amt-15-3827-2022, https://doi.org/10.5194/amt-15-3827-2022, 2022
Short summary
Short summary
We report in situ measurements of air pollutant concentrations within the planetary boundary layer on board a Zeppelin in Germany. The low costs of commercial flights provide an affordable and efficient method to improve our understanding of changes in emissions in space and time. The experimental setup expands the capabilities of this platform and provides insights into primary and secondary pollution observations and planetary boundary layer dynamics which determine air quality significantly.
Matthias Karl, Liisa Pirjola, Tiia Grönholm, Mona Kurppa, Srinivasan Anand, Xiaole Zhang, Andreas Held, Rolf Sander, Miikka Dal Maso, David Topping, Shuai Jiang, Leena Kangas, and Jaakko Kukkonen
Geosci. Model Dev., 15, 3969–4026, https://doi.org/10.5194/gmd-15-3969-2022, https://doi.org/10.5194/gmd-15-3969-2022, 2022
Short summary
Short summary
The community aerosol dynamics model MAFOR includes several advanced features: coupling with an up-to-date chemistry mechanism for volatile organic compounds, a revised Brownian coagulation kernel that takes into account the fractal geometry of soot particles, a multitude of nucleation parameterizations, size-resolved partitioning of semi-volatile inorganics, and a hybrid method for the formation of secondary organic aerosols within the framework of condensation and evaporation.
Andrea Pozzer, Simon F. Reifenberg, Vinod Kumar, Bruno Franco, Matthias Kohl, Domenico Taraborrelli, Sergey Gromov, Sebastian Ehrhart, Patrick Jöckel, Rolf Sander, Veronica Fall, Simon Rosanka, Vlassis Karydis, Dimitris Akritidis, Tamara Emmerichs, Monica Crippa, Diego Guizzardi, Johannes W. Kaiser, Lieven Clarisse, Astrid Kiendler-Scharr, Holger Tost, and Alexandra Tsimpidi
Geosci. Model Dev., 15, 2673–2710, https://doi.org/10.5194/gmd-15-2673-2022, https://doi.org/10.5194/gmd-15-2673-2022, 2022
Short summary
Short summary
A newly developed setup of the chemistry general circulation model EMAC (ECHAM5/MESSy for Atmospheric Chemistry) is evaluated here. A comprehensive organic degradation mechanism is used and coupled with a volatility base model.
The results show that the model reproduces most of the tracers and aerosols satisfactorily but shows discrepancies for oxygenated organic gases. It is also shown that this model configuration can be used for further research in atmospheric chemistry.
Zhi-Hui Zhang, Elena Hartner, Battist Utinger, Benjamin Gfeller, Andreas Paul, Martin Sklorz, Hendryk Czech, Bin Xia Yang, Xin Yi Su, Gert Jakobi, Jürgen Orasche, Jürgen Schnelle-Kreis, Seongho Jeong, Thomas Gröger, Michal Pardo, Thorsten Hohaus, Thomas Adam, Astrid Kiendler-Scharr, Yinon Rudich, Ralf Zimmermann, and Markus Kalberer
Atmos. Chem. Phys., 22, 1793–1809, https://doi.org/10.5194/acp-22-1793-2022, https://doi.org/10.5194/acp-22-1793-2022, 2022
Short summary
Short summary
Using a novel setup, we comprehensively characterized the formation of particle-bound reactive oxygen species (ROS) in anthropogenic and biogenic secondary organic aerosols (SOAs). We found that more than 90 % of all ROS components in both SOA types have a short lifetime. Our results also show that photochemical aging promotes particle-bound ROS production and enhances the oxidative potential of the aerosols. We found consistent results between chemical-based and biological-based ROS analyses.
Clara M. Nussbaumer, John N. Crowley, Jan Schuladen, Jonathan Williams, Sascha Hafermann, Andreas Reiffs, Raoul Axinte, Hartwig Harder, Cheryl Ernest, Anna Novelli, Katrin Sala, Monica Martinez, Chinmay Mallik, Laura Tomsche, Christian Plass-Dülmer, Birger Bohn, Jos Lelieveld, and Horst Fischer
Atmos. Chem. Phys., 21, 18413–18432, https://doi.org/10.5194/acp-21-18413-2021, https://doi.org/10.5194/acp-21-18413-2021, 2021
Short summary
Short summary
HCHO is an important atmospheric trace gas influencing the photochemical processes in the Earth’s atmosphere, including the budget of HOx and the abundance of tropospheric O3. This research presents the photochemical calculations of HCHO and O3 based on three field campaigns across Europe. We show that HCHO production via the oxidation of only four volatile organic compound precursors, i.e., CH4, CH3CHO, C5H8 and CH3OH, can balance the observed loss at all sites well.
Zhaofeng Tan, Luisa Hantschke, Martin Kaminski, Ismail-Hakki Acir, Birger Bohn, Changmin Cho, Hans-Peter Dorn, Xin Li, Anna Novelli, Sascha Nehr, Franz Rohrer, Ralf Tillmann, Robert Wegener, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 21, 16067–16091, https://doi.org/10.5194/acp-21-16067-2021, https://doi.org/10.5194/acp-21-16067-2021, 2021
Short summary
Short summary
The photo-oxidation of myrcene, a monoterpene species emitted by plants, was investigated at atmospheric conditions in the outdoor simulation chamber SAPHIR. The chemical structure of myrcene is partly similar to isoprene. Therefore, it can be expected that hydrogen shift reactions could play a role as observed for isoprene. In this work, their potential impact on the regeneration efficiency of hydroxyl radicals is investigated.
Philipp G. Eger, Luc Vereecken, Rolf Sander, Jan Schuladen, Nicolas Sobanski, Horst Fischer, Einar Karu, Jonathan Williams, Ville Vakkari, Tuukka Petäjä, Jos Lelieveld, Andrea Pozzer, and John N. Crowley
Atmos. Chem. Phys., 21, 14333–14349, https://doi.org/10.5194/acp-21-14333-2021, https://doi.org/10.5194/acp-21-14333-2021, 2021
Short summary
Short summary
We determine the impact of pyruvic acid photolysis on the formation of acetaldehyde and peroxy radicals during summer and autumn in the Finnish boreal forest using a data-constrained box model. Our results are dependent on the chosen scenario in which the overall quantum yield and the photolysis products are varied. We highlight that pyruvic acid photolysis can be an important contributor to acetaldehyde and peroxy radical formation in remote, forested regions.
Janne Lampilahti, Hanna E. Manninen, Tuomo Nieminen, Sander Mirme, Mikael Ehn, Iida Pullinen, Katri Leino, Siegfried Schobesberger, Juha Kangasluoma, Jenni Kontkanen, Emma Järvinen, Riikka Väänänen, Taina Yli-Juuti, Radovan Krejci, Katrianne Lehtipalo, Janne Levula, Aadu Mirme, Stefano Decesari, Ralf Tillmann, Douglas R. Worsnop, Franz Rohrer, Astrid Kiendler-Scharr, Tuukka Petäjä, Veli-Matti Kerminen, Thomas F. Mentel, and Markku Kulmala
Atmos. Chem. Phys., 21, 12649–12663, https://doi.org/10.5194/acp-21-12649-2021, https://doi.org/10.5194/acp-21-12649-2021, 2021
Short summary
Short summary
We studied aerosol particle formation and growth in different parts of the planetary boundary layer at two different locations (Po Valley, Italy, and Hyytiälä, Finland). The observations consist of airborne measurements on board an instrumented Zeppelin and a small airplane combined with comprehensive ground-based measurements.
Luisa Hantschke, Anna Novelli, Birger Bohn, Changmin Cho, David Reimer, Franz Rohrer, Ralf Tillmann, Marvin Glowania, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 21, 12665–12685, https://doi.org/10.5194/acp-21-12665-2021, https://doi.org/10.5194/acp-21-12665-2021, 2021
Short summary
Short summary
The reactions of Δ3-carene with ozone and the hydroxyl radical (OH) and the photolysis and OH reaction of caronaldehyde were investigated in the simulation chamber SAPHIR. Reaction rate constants of these reactions were determined. Caronaldehyde yields of the ozonolysis and OH reaction were determined. The organic nitrate yield of the reaction of Δ3-carene and caronaldehyde-derived peroxy radicals with NO was determined. The ROx budget (ROx = OH+HO2+RO2) was also investigated.
Simon Rosanka, Bruno Franco, Lieven Clarisse, Pierre-François Coheur, Andrea Pozzer, Andreas Wahner, and Domenico Taraborrelli
Atmos. Chem. Phys., 21, 11257–11288, https://doi.org/10.5194/acp-21-11257-2021, https://doi.org/10.5194/acp-21-11257-2021, 2021
Short summary
Short summary
The strong El Niño in 2015 led to a particular dry season in Indonesia and favoured severe peatland fires. The smouldering conditions of these fires and the high carbon content of peat resulted in high volatile organic compound (VOC) emissions. By using a comprehensive atmospheric model, we show that these emissions have a significant impact on the tropospheric composition and oxidation capacity. These emissions are transported into to the lower stratosphere, resulting in a depletion of ozone.
Rongrong Wu, Luc Vereecken, Epameinondas Tsiligiannis, Sungah Kang, Sascha R. Albrecht, Luisa Hantschke, Defeng Zhao, Anna Novelli, Hendrik Fuchs, Ralf Tillmann, Thorsten Hohaus, Philip T. M. Carlsson, Justin Shenolikar, François Bernard, John N. Crowley, Juliane L. Fry, Bellamy Brownwood, Joel A. Thornton, Steven S. Brown, Astrid Kiendler-Scharr, Andreas Wahner, Mattias Hallquist, and Thomas F. Mentel
Atmos. Chem. Phys., 21, 10799–10824, https://doi.org/10.5194/acp-21-10799-2021, https://doi.org/10.5194/acp-21-10799-2021, 2021
Short summary
Short summary
Isoprene is the biogenic volatile organic compound with the largest emissions rates. The nighttime reaction of isoprene with the NO3 radical has a large potential to contribute to SOA. We classified isoprene nitrates into generations and proposed formation pathways. Considering the potential functionalization of the isoprene nitrates we propose that mainly isoprene dimers contribute to SOA formation from the isoprene NO3 reactions with at least a 5 % mass yield.
Tamara Emmerichs, Bruno Franco, Catherine Wespes, Vinod Kumar, Andrea Pozzer, Simon Rosanka, and Domenico Taraborrelli
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2021-584, https://doi.org/10.5194/acp-2021-584, 2021
Revised manuscript not accepted
Short summary
Short summary
Near-surface ozone is a harmful air pollutant and it is strongly affected by radical reactions and surface-atmosphere exchanges which in turn are modulated, directly and indirectly, by weather. Understanding the impact of weather on ozone, and air quality, is thus important also in view of weather extremes. The inclusion of additional ozone-weather links in the global model yields a 2-fold reduction of the ozone bias towards satellite observations.
Simon Rosanka, Rolf Sander, Andreas Wahner, and Domenico Taraborrelli
Geosci. Model Dev., 14, 4103–4115, https://doi.org/10.5194/gmd-14-4103-2021, https://doi.org/10.5194/gmd-14-4103-2021, 2021
Short summary
Short summary
The Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) is developed and implemented into the Module Efficiently Calculating the Chemistry of the Atmosphere (MECCA). JAMOC is an explicit in-cloud oxidation scheme for oxygenated volatile organic compounds (OVOCs), which is suitable for global model applications. Within a box-model study, we show that JAMOC yields reduced gas-phase concentrations of most OVOCs and oxidants, except for nitrogen oxides.
Simon Rosanka, Rolf Sander, Bruno Franco, Catherine Wespes, Andreas Wahner, and Domenico Taraborrelli
Atmos. Chem. Phys., 21, 9909–9930, https://doi.org/10.5194/acp-21-9909-2021, https://doi.org/10.5194/acp-21-9909-2021, 2021
Short summary
Short summary
In-cloud destruction of ozone depends on hydroperoxyl radicals in cloud droplets, where they are produced by oxygenated volatile organic compound (OVOC) oxygenation. Only rudimentary representations of these processes, if any, are currently available in global atmospheric models. By using a comprehensive atmospheric model that includes a complex in-cloud OVOC oxidation scheme, we show that atmospheric oxidants are reduced and models ignoring this process will underpredict clouds as ozone sinks.
Defeng Zhao, Iida Pullinen, Hendrik Fuchs, Stephanie Schrade, Rongrong Wu, Ismail-Hakki Acir, Ralf Tillmann, Franz Rohrer, Jürgen Wildt, Yindong Guo, Astrid Kiendler-Scharr, Andreas Wahner, Sungah Kang, Luc Vereecken, and Thomas F. Mentel
Atmos. Chem. Phys., 21, 9681–9704, https://doi.org/10.5194/acp-21-9681-2021, https://doi.org/10.5194/acp-21-9681-2021, 2021
Short summary
Short summary
The reaction of isoprene, a biogenic volatile organic compound with the globally largest emission rates, with NO3, an nighttime oxidant influenced heavily by anthropogenic emissions, forms a large number of highly oxygenated organic molecules (HOM). These HOM are formed via one or multiple oxidation steps, followed by autoxidation. Their total yield is much higher than that in the daytime oxidation of isoprene. They may play an important role in nighttime organic aerosol formation and growth.
Marvin Glowania, Franz Rohrer, Hans-Peter Dorn, Andreas Hofzumahaus, Frank Holland, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Meas. Tech., 14, 4239–4253, https://doi.org/10.5194/amt-14-4239-2021, https://doi.org/10.5194/amt-14-4239-2021, 2021
Short summary
Short summary
Three instruments that use different techniques to measure gaseous formaldehyde concentrations were compared in experiments in the atmospheric simulation chamber SAPHIR at Forschungszentrum Jülich. The results demonstrated the need to correct the baseline in measurements by instruments that use the Hantzsch reaction or make use of cavity ring-down spectroscopy. After applying corrections, all three methods gave accurate and precise measurements within their specifications.
Alexander Zaytsev, Martin Breitenlechner, Anna Novelli, Hendrik Fuchs, Daniel A. Knopf, Jesse H. Kroll, and Frank N. Keutsch
Atmos. Meas. Tech., 14, 2501–2513, https://doi.org/10.5194/amt-14-2501-2021, https://doi.org/10.5194/amt-14-2501-2021, 2021
Short summary
Short summary
We have developed an online method for speciated measurements of organic peroxy radicals and stabilized Criegee intermediates using chemical derivatization combined with chemical ionization mass spectrometry. Chemical derivatization prevents secondary radical reactions and eliminates potential interferences. Comparison between our measurements and results from numeric modeling shows that the method can be used for the quantification of a wide range of atmospheric radicals and intermediates.
Michael Priestley, Thomas J. Bannan, Michael Le Breton, Stephen D. Worrall, Sungah Kang, Iida Pullinen, Sebastian Schmitt, Ralf Tillmann, Einhard Kleist, Defeng Zhao, Jürgen Wildt, Olga Garmash, Archit Mehra, Asan Bacak, Dudley E. Shallcross, Astrid Kiendler-Scharr, Åsa M. Hallquist, Mikael Ehn, Hugh Coe, Carl J. Percival, Mattias Hallquist, Thomas F. Mentel, and Gordon McFiggans
Atmos. Chem. Phys., 21, 3473–3490, https://doi.org/10.5194/acp-21-3473-2021, https://doi.org/10.5194/acp-21-3473-2021, 2021
Short summary
Short summary
A significant fraction of emissions from human activity consists of aromatic hydrocarbons, e.g. benzene, which oxidise to form new compounds important for particle growth. Characterisation of benzene oxidation products highlights the range of species produced as well as their chemical properties and contextualises them within relevant frameworks, e.g. MCM. Cluster analysis of the oxidation product time series distinguishes behaviours of CHON compounds that could aid in identifying functionality.
Changmin Cho, Andreas Hofzumahaus, Hendrik Fuchs, Hans-Peter Dorn, Marvin Glowania, Frank Holland, Franz Rohrer, Vaishali Vardhan, Astrid Kiendler-Scharr, Andreas Wahner, and Anna Novelli
Atmos. Meas. Tech., 14, 1851–1877, https://doi.org/10.5194/amt-14-1851-2021, https://doi.org/10.5194/amt-14-1851-2021, 2021
Short summary
Short summary
This study describes the implementation and characterization of the chemical modulation reactor (CMR) used in the laser-induced fluorescence instrument of the Forschungszentrum Jülich. The CMR allows for interference-free OH radical measurement in ambient air. During a field campaign in a rural environment, the observed interference was mostly below the detection limit of the instrument and fully explained by the known ozone interference.
Julian Rüdiger, Alexandra Gutmann, Nicole Bobrowski, Marcello Liotta, J. Maarten de Moor, Rolf Sander, Florian Dinger, Jan-Lukas Tirpitz, Martha Ibarra, Armando Saballos, María Martínez, Elvis Mendoza, Arnoldo Ferrufino, John Stix, Juan Valdés, Jonathan M. Castro, and Thorsten Hoffmann
Atmos. Chem. Phys., 21, 3371–3393, https://doi.org/10.5194/acp-21-3371-2021, https://doi.org/10.5194/acp-21-3371-2021, 2021
Short summary
Short summary
We present an innovative approach to study halogen chemistry in the plume of Masaya volcano in Nicaragua. An unique data set was collected using multiple techniques, including drones. These data enabled us to determine the fraction of activation of the respective halogens at various plume ages, where in-mixing of ambient air causes chemical reactions. An atmospheric chemistry box model was employed to further examine the field results and help our understanding of volcanic plume chemistry.
Domenico Taraborrelli, David Cabrera-Perez, Sara Bacer, Sergey Gromov, Jos Lelieveld, Rolf Sander, and Andrea Pozzer
Atmos. Chem. Phys., 21, 2615–2636, https://doi.org/10.5194/acp-21-2615-2021, https://doi.org/10.5194/acp-21-2615-2021, 2021
Short summary
Short summary
Atmospheric pollutants from anthropogenic activities and biomass burning are usually regarded as ozone precursors. Monocyclic aromatics are no exception. Calculations with a comprehensive atmospheric model are consistent with this view but only for air masses close to pollution source regions. However, the same model predicts that aromatics, when transported to remote areas, may effectively destroy ozone. This loss of tropospheric ozone rivals the one attributed to bromine.
Tamara Emmerichs, Astrid Kerkweg, Huug Ouwersloot, Silvano Fares, Ivan Mammarella, and Domenico Taraborrelli
Geosci. Model Dev., 14, 495–519, https://doi.org/10.5194/gmd-14-495-2021, https://doi.org/10.5194/gmd-14-495-2021, 2021
Short summary
Short summary
Dry deposition to vegetation is a major sink of ground-level ozone. Its parameterization in atmospheric chemistry models represents a significant source of uncertainty for global tropospheric ozone. We extended the current model parameterization with a relevant pathway and important meteorological adjustment factors. The comparison with measurements shows that this enables a more realistic model representation of ozone dry deposition velocity. Globally, annual dry deposition loss increases.
Huan Song, Xiaorui Chen, Keding Lu, Qi Zou, Zhaofeng Tan, Hendrik Fuchs, Alfred Wiedensohler, Daniel R. Moon, Dwayne E. Heard, María-Teresa Baeza-Romero, Mei Zheng, Andreas Wahner, Astrid Kiendler-Scharr, and Yuanhang Zhang
Atmos. Chem. Phys., 20, 15835–15850, https://doi.org/10.5194/acp-20-15835-2020, https://doi.org/10.5194/acp-20-15835-2020, 2020
Short summary
Short summary
Accurate calculation of the HO2 uptake coefficient is one of the key parameters to quantify the co-reduction of both aerosol and ozone pollution. We modelled various lab measurements of γHO2 based on a gas-liquid phase kinetic model and developed a state-of-the-art parameterized equation. Based on a dataset from a comprehensive field campaign in the North China Plain, we proposed that the determination of the heterogeneous uptake process for HO2 should be included in future field campaigns.
Michael Rolletter, Marion Blocquet, Martin Kaminski, Birger Bohn, Hans-Peter Dorn, Andreas Hofzumahaus, Frank Holland, Xin Li, Franz Rohrer, Ralf Tillmann, Robert Wegener, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 20, 13701–13719, https://doi.org/10.5194/acp-20-13701-2020, https://doi.org/10.5194/acp-20-13701-2020, 2020
Short summary
Short summary
The photooxidation of pinonaldehyde is investigated in a chamber study under natural sunlight and low NO conditions with and without an added hydroxyl radical (OH) scavenger. The experimentally determined pinonaldehyde photolysis frequency is faster by a factor of 3.5 than currently used parameterizations in atmospheric models. Yields of degradation products are measured in the presence and absence of OH. Measurements are compared to current atmospheric models and a theory-based mechanism.
Patrick Dewald, Jonathan M. Liebmann, Nils Friedrich, Justin Shenolikar, Jan Schuladen, Franz Rohrer, David Reimer, Ralf Tillmann, Anna Novelli, Changmin Cho, Kangming Xu, Rupert Holzinger, François Bernard, Li Zhou, Wahid Mellouki, Steven S. Brown, Hendrik Fuchs, Jos Lelieveld, and John N. Crowley
Atmos. Chem. Phys., 20, 10459–10475, https://doi.org/10.5194/acp-20-10459-2020, https://doi.org/10.5194/acp-20-10459-2020, 2020
Short summary
Short summary
We present direct measurements of NO3 reactivity resulting from the oxidation of isoprene by NO3 during an intensive simulation chamber study. Measurements were in excellent agreement with values calculated from measured isoprene amounts and the rate coefficient for the reaction of NO3 with isoprene. Comparison of the measurement with NO3 reactivities from non-steady-state and model calculations suggests that isoprene-derived RO2 and HO2 radicals account to ~ 50 % of overall NO3 losses.
Iida Pullinen, Sebastian Schmitt, Sungah Kang, Mehrnaz Sarrafzadeh, Patrick Schlag, Stefanie Andres, Einhard Kleist, Thomas F. Mentel, Franz Rohrer, Monika Springer, Ralf Tillmann, Jürgen Wildt, Cheng Wu, Defeng Zhao, Andreas Wahner, and Astrid Kiendler-Scharr
Atmos. Chem. Phys., 20, 10125–10147, https://doi.org/10.5194/acp-20-10125-2020, https://doi.org/10.5194/acp-20-10125-2020, 2020
Short summary
Short summary
Biogenic and anthropogenic air masses mix in the atmosphere, bringing plant-emitted monoterpenes and traffic-related nitrogen oxides together. There is debate whether the presence of nitrogen oxides reduces or increases secondary aerosol formation. This is important as secondary aerosols have cooling effects in the climate system but also constitute a health risk in populated areas. We show that the presence of NOx alone should not much affect the mass yields of secondary organic aerosols.
Simon Rosanka, Giang H. T. Vu, Hue M. T. Nguyen, Tien V. Pham, Umar Javed, Domenico Taraborrelli, and Luc Vereecken
Atmos. Chem. Phys., 20, 6671–6686, https://doi.org/10.5194/acp-20-6671-2020, https://doi.org/10.5194/acp-20-6671-2020, 2020
Short summary
Short summary
Isocyanic acid, HNCO, is a toxic chemical compound emitted to the atmosphere by biomass burning and by unwanted release in NOx mitigation systems in vehicles such as the AdBlue system. We have studied the loss processes of HNCO, finding that it is unreactive to most atmospheric oxidants and thus has a long chemical lifetime. The main removal is then by deposition on surfaces and transition to aqueous phase, such as clouds. The long lifetime also allows it to be transported to the stratosphere.
Anna Novelli, Luc Vereecken, Birger Bohn, Hans-Peter Dorn, Georgios I. Gkatzelis, Andreas Hofzumahaus, Frank Holland, David Reimer, Franz Rohrer, Simon Rosanka, Domenico Taraborrelli, Ralf Tillmann, Robert Wegener, Zhujun Yu, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 20, 3333–3355, https://doi.org/10.5194/acp-20-3333-2020, https://doi.org/10.5194/acp-20-3333-2020, 2020
Short summary
Short summary
Experimental evidence from a simulation chamber study shows that the regeneration efficiency of the hydroxyl radical is maintained globally at values higher than 0.5 for a wide range of nitrogen oxide concentrations as a result of isomerizations of peroxy radicals originating from the OH oxidation of isoprene. The available models were tested, and suggestions on how to improve their ability to reproduce the measured radical and oxygenated volatile organic compound concentrations are provided.
Yu Wang, Ying Chen, Zhijun Wu, Dongjie Shang, Yuxuan Bian, Zhuofei Du, Sebastian H. Schmitt, Rong Su, Georgios I. Gkatzelis, Patrick Schlag, Thorsten Hohaus, Aristeidis Voliotis, Keding Lu, Limin Zeng, Chunsheng Zhao, M. Rami Alfarra, Gordon McFiggans, Alfred Wiedensohler, Astrid Kiendler-Scharr, Yuanhang Zhang, and Min Hu
Atmos. Chem. Phys., 20, 2161–2175, https://doi.org/10.5194/acp-20-2161-2020, https://doi.org/10.5194/acp-20-2161-2020, 2020
Short summary
Short summary
Severe haze events, with high particulate nitrate (pNO3−) burden, frequently prevail in Beijing. In this study, we demonstrate a mutual-promotion effect between aerosol water uptake and pNO3− formation backed up by theoretical calculations and field observations throughout a typical pNO3−-dominated haze event in Beijing wintertime. This self-amplified mutual-promotion effect between aerosol water content and particulate nitrate can rapidly deteriorate air quality and degrade visibility.
Olga Garmash, Matti P. Rissanen, Iida Pullinen, Sebastian Schmitt, Oskari Kausiala, Ralf Tillmann, Defeng Zhao, Carl Percival, Thomas J. Bannan, Michael Priestley, Åsa M. Hallquist, Einhard Kleist, Astrid Kiendler-Scharr, Mattias Hallquist, Torsten Berndt, Gordon McFiggans, Jürgen Wildt, Thomas F. Mentel, and Mikael Ehn
Atmos. Chem. Phys., 20, 515–537, https://doi.org/10.5194/acp-20-515-2020, https://doi.org/10.5194/acp-20-515-2020, 2020
Short summary
Short summary
Highly oxygenated organic molecules (HOMs) facilitate aerosol formation in the atmosphere. Using NO3− chemical ionization mass spectrometry we investigated HOM composition and yield in oxidation of aromatic compounds at different reactant concentrations, in the presence of NOx and seed aerosol. Higher OH concentrations increased HOM yield, suggesting multiple oxidation steps, and affected HOM composition, potentially explaining in part discrepancies in published secondary organic aerosol yields.
Rupert Holzinger, W. Joe F. Acton, William J. Bloss, Martin Breitenlechner, Leigh R. Crilley, Sébastien Dusanter, Marc Gonin, Valerie Gros, Frank N. Keutsch, Astrid Kiendler-Scharr, Louisa J. Kramer, Jordan E. Krechmer, Baptiste Languille, Nadine Locoge, Felipe Lopez-Hilfiker, Dušan Materić, Sergi Moreno, Eiko Nemitz, Lauriane L. J. Quéléver, Roland Sarda Esteve, Stéphane Sauvage, Simon Schallhart, Roberto Sommariva, Ralf Tillmann, Sergej Wedel, David R. Worton, Kangming Xu, and Alexander Zaytsev
Atmos. Meas. Tech., 12, 6193–6208, https://doi.org/10.5194/amt-12-6193-2019, https://doi.org/10.5194/amt-12-6193-2019, 2019
Horst Fischer, Raoul Axinte, Heiko Bozem, John N. Crowley, Cheryl Ernest, Stefan Gilge, Sascha Hafermann, Hartwig Harder, Korbinian Hens, Ruud H. H. Janssen, Rainer Königstedt, Dagmar Kubistin, Chinmay Mallik, Monica Martinez, Anna Novelli, Uwe Parchatka, Christian Plass-Dülmer, Andrea Pozzer, Eric Regelin, Andreas Reiffs, Torsten Schmidt, Jan Schuladen, and Jos Lelieveld
Atmos. Chem. Phys., 19, 11953–11968, https://doi.org/10.5194/acp-19-11953-2019, https://doi.org/10.5194/acp-19-11953-2019, 2019
Short summary
Short summary
We use in situ observations of H2O2 to study the interplay between photochemistry, transport and deposition processes. The data were obtained during five ground-based field campaigns across Europe. A budget calculation indicates that the photochemical production rate was much larger than photochemical loss and that dry deposition is the dominant loss process. To reproduce the change in H2O2 mixing ratios after sunrise, a variable contribution of entrainment from the residual layer is required.
Michael Rolletter, Martin Kaminski, Ismail-Hakki Acir, Birger Bohn, Hans-Peter Dorn, Xin Li, Anna Lutz, Sascha Nehr, Franz Rohrer, Ralf Tillmann, Robert Wegener, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 19, 11635–11649, https://doi.org/10.5194/acp-19-11635-2019, https://doi.org/10.5194/acp-19-11635-2019, 2019
Short summary
Short summary
Here we present a study of the photooxidation of alpha-pinene, the most abundant monoterpene, by hydroxyl radicals (OH) conducted in the simulation chamber SAPHIR under low NOx and atmospheric alpha-pinene concentrations. Yields of the main degradation products acetone, formaldehyde, and pinonaldehyde were determined and the HOx (OH + HO2) radical budget was investigated. Measurements were used to test current atmospheric models and a theory-based mechanism.
Sanna Saarikoski, Leah R. Williams, Steven R. Spielman, Gregory S. Lewis, Arantzazu Eiguren-Fernandez, Minna Aurela, Susanne V. Hering, Kimmo Teinilä, Philip Croteau, John T. Jayne, Thorsten Hohaus, Douglas R. Worsnop, and Hilkka Timonen
Atmos. Meas. Tech., 12, 3907–3920, https://doi.org/10.5194/amt-12-3907-2019, https://doi.org/10.5194/amt-12-3907-2019, 2019
Short summary
Short summary
An air-to-air ultrafine particle concentrator (Aerosol Dynamics Inc. concentrator; ADIc) has been tailored for the low (~ 0.08 L min−1) inlet flow of aerosol mass spectrometers, and it provides a factor of 8–21 enrichment in the concentration of particles. The ADIc was evaluated in laboratory and field measurements. The results showed that the concentration factor depends primarily on the ratio between the sample flow and the output flow and is independent of particle size above about 10 nm.
Zhaofeng Tan, Keding Lu, Andreas Hofzumahaus, Hendrik Fuchs, Birger Bohn, Frank Holland, Yuhan Liu, Franz Rohrer, Min Shao, Kang Sun, Yusheng Wu, Limin Zeng, Yinsong Zhang, Qi Zou, Astrid Kiendler-Scharr, Andreas Wahner, and Yuanhang Zhang
Atmos. Chem. Phys., 19, 7129–7150, https://doi.org/10.5194/acp-19-7129-2019, https://doi.org/10.5194/acp-19-7129-2019, 2019
Short summary
Short summary
Atmospheric OH, HO2, and RO2 radicals; OH reactivity; and trace gases measured in the Pearl River Delta in autumn 2014 are used for radical budget analyses. The RO2 budget suggests that unexplained OH reactivity is due to unmeasured volatile organic compounds. The OH budget points to a missing OH source and that of RO2 to a missing RO2 sink at low NO. This could indicate a common, unknown process that converts RO2 to OH without the involvement of NO, which would reduce ozone production by 30 %.
Rolf Sander, Andreas Baumgaertner, David Cabrera-Perez, Franziska Frank, Sergey Gromov, Jens-Uwe Grooß, Hartwig Harder, Vincent Huijnen, Patrick Jöckel, Vlassis A. Karydis, Kyle E. Niemeyer, Andrea Pozzer, Hella Riede, Martin G. Schultz, Domenico Taraborrelli, and Sebastian Tauer
Geosci. Model Dev., 12, 1365–1385, https://doi.org/10.5194/gmd-12-1365-2019, https://doi.org/10.5194/gmd-12-1365-2019, 2019
Short summary
Short summary
We present the atmospheric chemistry box model CAABA/MECCA which
now includes a number of new features: skeletal mechanism
reduction, the MOM chemical mechanism for volatile organic
compounds, an option to include reactions from the Master
Chemical Mechanism (MCM) and other chemical mechanisms, updated
isotope tagging, improved and new photolysis modules, and the new
feature of coexisting multiple chemistry mechanisms.
CAABA/MECCA is a community model published under the GPL.
Sascha R. Albrecht, Anna Novelli, Andreas Hofzumahaus, Sungah Kang, Yare Baker, Thomas Mentel, Andreas Wahner, and Hendrik Fuchs
Atmos. Meas. Tech., 12, 891–902, https://doi.org/10.5194/amt-12-891-2019, https://doi.org/10.5194/amt-12-891-2019, 2019
Short summary
Short summary
Within this study we demonstrate reliable measurement of hydroperoxy (HO2) radicals via chemical ionisation mass spectrometry. HO2 is detected as an ion cluster with bromide ions, which allows a selective detection. This direct and sensitive measurement provides reliable data of HO2 radical concentrations in the atmosphere as demonstrated in the first application in simulation chamber experiments.
John N. Crowley, Nicolas Pouvesle, Gavin J. Phillips, Raoul Axinte, Horst Fischer, Tuukka Petäjä, Anke Nölscher, Jonathan Williams, Korbinian Hens, Hartwig Harder, Monica Martinez-Harder, Anna Novelli, Dagmar Kubistin, Birger Bohn, and Jos Lelieveld
Atmos. Chem. Phys., 18, 13457–13479, https://doi.org/10.5194/acp-18-13457-2018, https://doi.org/10.5194/acp-18-13457-2018, 2018
Short summary
Short summary
Simultaneous observations of PAA, PAN and H2O2 are used to provide insight into processes influencing the HOx chemistry of the boreal forest, including two biomass-burning-impacted periods. A significant contribution from photolytic HOx sources was included in a box model analysis to align model predictions with measurements. The model predicts high levels of organic peroxy radicals, also at night-time.
Georgios I. Gkatzelis, Thorsten Hohaus, Ralf Tillmann, Iulia Gensch, Markus Müller, Philipp Eichler, Kang-Ming Xu, Patrick Schlag, Sebastian H. Schmitt, Zhujun Yu, Robert Wegener, Martin Kaminski, Rupert Holzinger, Armin Wisthaler, and Astrid Kiendler-Scharr
Atmos. Chem. Phys., 18, 12969–12989, https://doi.org/10.5194/acp-18-12969-2018, https://doi.org/10.5194/acp-18-12969-2018, 2018
Short summary
Short summary
Defining the fundamental parameters that distribute organic molecules between the gas and particle phases is essential to understand their impact on the atmosphere. In this work, gas to particle partitioning of major biogenic oxidation products from monoterpenes and real plant emissions was investigated. While measurement results and theoretical calculation for most semi-volatile compounds are in good agreement, significant deviations are found for intermediate volatile organic compounds.
Zhaofeng Tan, Franz Rohrer, Keding Lu, Xuefei Ma, Birger Bohn, Sebastian Broch, Huabin Dong, Hendrik Fuchs, Georgios I. Gkatzelis, Andreas Hofzumahaus, Frank Holland, Xin Li, Ying Liu, Yuhan Liu, Anna Novelli, Min Shao, Haichao Wang, Yusheng Wu, Limin Zeng, Min Hu, Astrid Kiendler-Scharr, Andreas Wahner, and Yuanhang Zhang
Atmos. Chem. Phys., 18, 12391–12411, https://doi.org/10.5194/acp-18-12391-2018, https://doi.org/10.5194/acp-18-12391-2018, 2018
Short summary
Short summary
We present the first wintertime OH, HO2, and RO2 measurements in Beijing, China. OH concentrations are nearly 2-fold larger than those observed in foreign cities during wintertime. The high OH and large OH reactivities indicate photochemical processes can be effective even during wintertime. A box model largely underestimated HO2 and RO2 concentrations during pollution episodes correlated with high NOx, indicating a deficit current chemistry in the high NOx regime.
Zacharias Marinou Nikolaou, Jyh-Yuan Chen, Yiannis Proestos, Jos Lelieveld, and Rolf Sander
Geosci. Model Dev., 11, 3391–3407, https://doi.org/10.5194/gmd-11-3391-2018, https://doi.org/10.5194/gmd-11-3391-2018, 2018
Short summary
Short summary
Chemistry is an important component of the atmosphere that describes many important physical processes. However, atmospheric chemical mechanisms include hundreds of species and reactions, posing a significant computational load. In this work, we use a powerful reduction method in order to develop a computationally faster chemical mechanism from a detailed mechanism. This enables accelerated simulations, which can be used to examine a wider range of processes in increased detail.
Anna Novelli, Martin Kaminski, Michael Rolletter, Ismail-Hakki Acir, Birger Bohn, Hans-Peter Dorn, Xin Li, Anna Lutz, Sascha Nehr, Franz Rohrer, Ralf Tillmann, Robert Wegener, Frank Holland, Andreas Hofzumahaus, Astrid Kiendler-Scharr, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 18, 11409–11422, https://doi.org/10.5194/acp-18-11409-2018, https://doi.org/10.5194/acp-18-11409-2018, 2018
Short summary
Short summary
The impact of photooxidation of 2-methyl-3-butene-2-ol (MBO) on the concentration of radical species was studied in the atmospheric simulation chamber SAPHIR. MBO is a volatile organic compound mainly emitted by ponderosa and lodgepole pines which are very abundant in forests in the central-west USA. A very good agreement between measured and modelled radical concentrations and products from the oxidation of MBO was observed in an environment with NO of ~ 200 pptv.
Scarlet Stadtler, Thomas Kühn, Sabine Schröder, Domenico Taraborrelli, Martin G. Schultz, and Harri Kokkola
Geosci. Model Dev., 11, 3235–3260, https://doi.org/10.5194/gmd-11-3235-2018, https://doi.org/10.5194/gmd-11-3235-2018, 2018
Short summary
Short summary
Atmospheric aerosols interact with our climate system and have adverse health effects. Nevertheless, these particles are a source of uncertainty in climate projections and the formation process of secondary aerosols formed by organic gas-phase precursors is particularly not fully understood. In order to gain a deeper understanding of secondary organic aerosol formation, this model system explicitly represents gas-phase and aerosol formation processes. Finally, this allows for process discussion.
Chinmay Mallik, Laura Tomsche, Efstratios Bourtsoukidis, John N. Crowley, Bettina Derstroff, Horst Fischer, Sascha Hafermann, Imke Hüser, Umar Javed, Stephan Keßel, Jos Lelieveld, Monica Martinez, Hannah Meusel, Anna Novelli, Gavin J. Phillips, Andrea Pozzer, Andreas Reiffs, Rolf Sander, Domenico Taraborrelli, Carina Sauvage, Jan Schuladen, Hang Su, Jonathan Williams, and Hartwig Harder
Atmos. Chem. Phys., 18, 10825–10847, https://doi.org/10.5194/acp-18-10825-2018, https://doi.org/10.5194/acp-18-10825-2018, 2018
Short summary
Short summary
OH and HO2 control the transformation of air pollutants and O3 formation. Their implication for air quality over the climatically sensitive Mediterranean region was studied during a field campaign in Cyprus. Production of OH, HO2, and recycled OH was lower in aged marine air masses. Box model simulations of OH and HO2 agreed with measurements except at high terpene concentrations when model RO2 due to terpenes caused large HO2 loss. Autoxidation schemes for RO2 improved the agreement.
Hendrik Fuchs, Sascha Albrecht, Ismail–Hakki Acir, Birger Bohn, Martin Breitenlechner, Hans-Peter Dorn, Georgios I. Gkatzelis, Andreas Hofzumahaus, Frank Holland, Martin Kaminski, Frank N. Keutsch, Anna Novelli, David Reimer, Franz Rohrer, Ralf Tillmann, Luc Vereecken, Robert Wegener, Alexander Zaytsev, Astrid Kiendler-Scharr, and Andreas Wahner
Atmos. Chem. Phys., 18, 8001–8016, https://doi.org/10.5194/acp-18-8001-2018, https://doi.org/10.5194/acp-18-8001-2018, 2018
Short summary
Short summary
The photooxidation of methyl vinyl ketone MVK, one of the most important products of isoprene that is emitted by plants, was investigated in the atmospheric simulation chamber SAPHIR for conditions found in forested areas. The comparison of measured trace gas time series with model calculations shows a gap in the understanding of radical chemistry in the MVK oxidation scheme. The possibility of unimolecular isomerization reactions were investigated by means of quantum-chemical calculations.
Martin G. Schultz, Scarlet Stadtler, Sabine Schröder, Domenico Taraborrelli, Bruno Franco, Jonathan Krefting, Alexandra Henrot, Sylvaine Ferrachat, Ulrike Lohmann, David Neubauer, Colombe Siegenthaler-Le Drian, Sebastian Wahl, Harri Kokkola, Thomas Kühn, Sebastian Rast, Hauke Schmidt, Philip Stier, Doug Kinnison, Geoffrey S. Tyndall, John J. Orlando, and Catherine Wespes
Geosci. Model Dev., 11, 1695–1723, https://doi.org/10.5194/gmd-11-1695-2018, https://doi.org/10.5194/gmd-11-1695-2018, 2018
Short summary
Short summary
The chemistry–climate model ECHAM-HAMMOZ contains a detailed representation of tropospheric and stratospheric reactive chemistry and state-of-the-art parameterizations of aerosols. It thus allows for detailed investigations of chemical processes in the climate system. Evaluation of the model with various observational data yields good results, but the model has a tendency to produce too much OH in the tropics. This highlights the important interplay between atmospheric chemistry and dynamics.
Georgios I. Gkatzelis, Ralf Tillmann, Thorsten Hohaus, Markus Müller, Philipp Eichler, Kang-Ming Xu, Patrick Schlag, Sebastian H. Schmitt, Robert Wegener, Martin Kaminski, Rupert Holzinger, Armin Wisthaler, and Astrid Kiendler-Scharr
Atmos. Meas. Tech., 11, 1481–1500, https://doi.org/10.5194/amt-11-1481-2018, https://doi.org/10.5194/amt-11-1481-2018, 2018
Short summary
Short summary
This manuscript presents an intercomparison of state-of-the-art online and in situ particle sampling techniques connected to proton transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS). Collection and vaporization of aerosol combined with soft ionization mass spectrometry offers the advantage of detailed chemical characterization of SOA species. The benefits of these techniques are highlighted through their consistency in providing the chemical composition of biogenic SOA.
Scarlet Stadtler, David Simpson, Sabine Schröder, Domenico Taraborrelli, Andreas Bott, and Martin Schultz
Atmos. Chem. Phys., 18, 3147–3171, https://doi.org/10.5194/acp-18-3147-2018, https://doi.org/10.5194/acp-18-3147-2018, 2018
Defeng Zhao, Sebastian H. Schmitt, Mingjin Wang, Ismail-Hakki Acir, Ralf Tillmann, Zhaofeng Tan, Anna Novelli, Hendrik Fuchs, Iida Pullinen, Robert Wegener, Franz Rohrer, Jürgen Wildt, Astrid Kiendler-Scharr, Andreas Wahner, and Thomas F. Mentel
Atmos. Chem. Phys., 18, 1611–1628, https://doi.org/10.5194/acp-18-1611-2018, https://doi.org/10.5194/acp-18-1611-2018, 2018
Short summary
Short summary
Air pollutants emitted by human activities such as NOx and SO2 can influence the abundance of secondary organic aerosol (SOA) from biogenic volatile organic compounds (VOCs). We found that NOx suppressed new particle formation and SOA mass formation. When both SO2 and NOx are present, the suppressing effect of NOx on SOA mass formation was counteracted by SO2. High NOx changed SOA chemical composition, forming more organic nitrate, because NOx changed radical chemistry during VOC oxidation.
Hendrik Fuchs, Anna Novelli, Michael Rolletter, Andreas Hofzumahaus, Eva Y. Pfannerstill, Stephan Kessel, Achim Edtbauer, Jonathan Williams, Vincent Michoud, Sebastien Dusanter, Nadine Locoge, Nora Zannoni, Valerie Gros, Francois Truong, Roland Sarda-Esteve, Danny R. Cryer, Charlotte A. Brumby, Lisa K. Whalley, Daniel Stone, Paul W. Seakins, Dwayne E. Heard, Coralie Schoemaecker, Marion Blocquet, Sebastien Coudert, Sebastien Batut, Christa Fittschen, Alexander B. Thames, William H. Brune, Cheryl Ernest, Hartwig Harder, Jennifer B. A. Muller, Thomas Elste, Dagmar Kubistin, Stefanie Andres, Birger Bohn, Thorsten Hohaus, Frank Holland, Xin Li, Franz Rohrer, Astrid Kiendler-Scharr, Ralf Tillmann, Robert Wegener, Zhujun Yu, Qi Zou, and Andreas Wahner
Atmos. Meas. Tech., 10, 4023–4053, https://doi.org/10.5194/amt-10-4023-2017, https://doi.org/10.5194/amt-10-4023-2017, 2017
Short summary
Short summary
Hydroxyl radical reactivity (k(OH)) is closely related to processes that lead to the formation of oxidised, secondary pollutants such as ozone and aerosol. In order to compare the performances of instruments measuring k(OH), experiments were conducted in the simulation chamber SAPHIR. Chemical conditions were chosen either to be representative of the atmosphere or to test potential limitations of instruments. Overall, the results show that instruments are capable of measuring k(OH).
David Cabrera-Perez, Domenico Taraborrelli, Jos Lelieveld, Thorsten Hoffmann, and Andrea Pozzer
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2017-928, https://doi.org/10.5194/acp-2017-928, 2017
Revised manuscript not accepted
Short summary
Short summary
Aromatic compounds are present in rural and urban atmospheres. The aim of this work is to disentangle the impacts of these compounds in different important atmospheric chemical species with the help of a numerical model. Aromatics have low impact OH, NOx and Ozone concentrations in the global scale (below 4 %). The impact however is larger in the regional scale (up to 10 %). The largest impact is in glyoxal and NO3 concentrations, with changes up to 10 % globally and 40 % regionally.
Bettina Derstroff, Imke Hüser, Efstratios Bourtsoukidis, John N. Crowley, Horst Fischer, Sergey Gromov, Hartwig Harder, Ruud H. H. Janssen, Jürgen Kesselmeier, Jos Lelieveld, Chinmay Mallik, Monica Martinez, Anna Novelli, Uwe Parchatka, Gavin J. Phillips, Rolf Sander, Carina Sauvage, Jan Schuladen, Christof Stönner, Laura Tomsche, and Jonathan Williams
Atmos. Chem. Phys., 17, 9547–9566, https://doi.org/10.5194/acp-17-9547-2017, https://doi.org/10.5194/acp-17-9547-2017, 2017
Short summary
Short summary
The aim of the study was to examine aged air masses being transported from the European continent towards Cyprus. Longer-lived oxygenated volatile organic compounds (OVOCs) such as methanol were mainly impacted by long-distance transport and showed higher values in air masses from eastern Europe than in a flow regime from the west. The impact of the transport through the marine boundary layer as well as the influence of the residual layer/free troposphere on OVOCs were studied.
Stephan Keßel, David Cabrera-Perez, Abraham Horowitz, Patrick R. Veres, Rolf Sander, Domenico Taraborrelli, Maria Tucceri, John N. Crowley, Andrea Pozzer, Christof Stönner, Luc Vereecken, Jos Lelieveld, and Jonathan Williams
Atmos. Chem. Phys., 17, 8789–8804, https://doi.org/10.5194/acp-17-8789-2017, https://doi.org/10.5194/acp-17-8789-2017, 2017
Short summary
Short summary
In this study we identify an often overlooked stable oxide of carbon, namely carbon suboxide (C3O2), in ambient air. We have made C3O2 and in the laboratory determined its absorption cross section data and the rate of reaction with two important atmospheric oxidants, OH and O3. By incorporating known sources and sinks in a global model we have generated a first global picture of the distribution of this species in the atmosphere.
Anna Novelli, Korbinian Hens, Cheryl Tatum Ernest, Monica Martinez, Anke C. Nölscher, Vinayak Sinha, Pauli Paasonen, Tuukka Petäjä, Mikko Sipilä, Thomas Elste, Christian Plass-Dülmer, Gavin J. Phillips, Dagmar Kubistin, Jonathan Williams, Luc Vereecken, Jos Lelieveld, and Hartwig Harder
Atmos. Chem. Phys., 17, 7807–7826, https://doi.org/10.5194/acp-17-7807-2017, https://doi.org/10.5194/acp-17-7807-2017, 2017
Short summary
Short summary
The ambient concentration of stabilised Criegee intermediates (SCIs) was estimated for two
environments using field data. The low concentrations predicted indicate that SCIs are
unlikely to have a large impact on atmospheric chemistry. Concurrent measurements of an OH background signal using the Mainz IPI-LIF-FAGE instrument were found to be consistent with the chemistry of SCIs during the measurement campaigns.
Martin Kaminski, Hendrik Fuchs, Ismail-Hakki Acir, Birger Bohn, Theo Brauers, Hans-Peter Dorn, Rolf Häseler, Andreas Hofzumahaus, Xin Li, Anna Lutz, Sascha Nehr, Franz Rohrer, Ralf Tillmann, Luc Vereecken, Robert Wegener, and Andreas Wahner
Atmos. Chem. Phys., 17, 6631–6650, https://doi.org/10.5194/acp-17-6631-2017, https://doi.org/10.5194/acp-17-6631-2017, 2017
Short summary
Short summary
Monoterpenes emitted by trees are among the volatile organic compounds with the highest global emission rates. The atmospheric degradation of the monoterpene β-pinene was investigated in the atmosphere simulation chamber SAPHIR in Jülich under low NOx and atmospheric β-pinene concentrations. While the budget of OH was balanced, both OH and HO2 concentrations were underestimated in the simulation results. These observations suggest the existence of unaccounted sources of HO2.
Alexandra-Jane Henrot, Tanja Stanelle, Sabine Schröder, Colombe Siegenthaler, Domenico Taraborrelli, and Martin G. Schultz
Geosci. Model Dev., 10, 903–926, https://doi.org/10.5194/gmd-10-903-2017, https://doi.org/10.5194/gmd-10-903-2017, 2017
Short summary
Short summary
This paper describes the basic results of the biogenic emission scheme, based on MEGAN, integrated into the ECHAM6-HAMMOZ chemistry climate model. Sensitivity to vegetation and climate-dependent parameters is also analysed. This version of the model is now suitable for many tropospheric investigations concerning the impact of biogenic volatile organic compound emissions on the ozone budget, secondary aerosol formation, and atmospheric chemistry.
Nga Lee Ng, Steven S. Brown, Alexander T. Archibald, Elliot Atlas, Ronald C. Cohen, John N. Crowley, Douglas A. Day, Neil M. Donahue, Juliane L. Fry, Hendrik Fuchs, Robert J. Griffin, Marcelo I. Guzman, Hartmut Herrmann, Alma Hodzic, Yoshiteru Iinuma, José L. Jimenez, Astrid Kiendler-Scharr, Ben H. Lee, Deborah J. Luecken, Jingqiu Mao, Robert McLaren, Anke Mutzel, Hans D. Osthoff, Bin Ouyang, Benedicte Picquet-Varrault, Ulrich Platt, Havala O. T. Pye, Yinon Rudich, Rebecca H. Schwantes, Manabu Shiraiwa, Jochen Stutz, Joel A. Thornton, Andreas Tilgner, Brent J. Williams, and Rahul A. Zaveri
Atmos. Chem. Phys., 17, 2103–2162, https://doi.org/10.5194/acp-17-2103-2017, https://doi.org/10.5194/acp-17-2103-2017, 2017
Short summary
Short summary
Oxidation of biogenic volatile organic compounds by NO3 is an important interaction between anthropogenic
and natural emissions. This review results from a June 2015 workshop and includes the recent literature
on kinetics, mechanisms, organic aerosol yields, and heterogeneous chemistry; advances in analytical
instrumentation; the current state NO3-BVOC chemistry in atmospheric models; and critical needs for
future research in modeling, field observations, and laboratory studies.
Zhaofeng Tan, Hendrik Fuchs, Keding Lu, Andreas Hofzumahaus, Birger Bohn, Sebastian Broch, Huabin Dong, Sebastian Gomm, Rolf Häseler, Lingyan He, Frank Holland, Xin Li, Ying Liu, Sihua Lu, Franz Rohrer, Min Shao, Baolin Wang, Ming Wang, Yusheng Wu, Limin Zeng, Yinsong Zhang, Andreas Wahner, and Yuanhang Zhang
Atmos. Chem. Phys., 17, 663–690, https://doi.org/10.5194/acp-17-663-2017, https://doi.org/10.5194/acp-17-663-2017, 2017
Short summary
Short summary
In this study, we performed accurate OH measurements as well as selective HO2 and RO2 measurements at a rural site in North China Plain with state-of-the-art instruments newly developed. We confirmed the previous discovery on the enhancement of the OH in low NOx with which little O3 production was associated, and we found a missing RO2 source in high NOx which promoted higher O3 production. Our results are of vital importance for ozone abatement strategies currently under discussion for China.
Hendrik Fuchs, Zhaofeng Tan, Keding Lu, Birger Bohn, Sebastian Broch, Steven S. Brown, Huabin Dong, Sebastian Gomm, Rolf Häseler, Lingyan He, Andreas Hofzumahaus, Frank Holland, Xin Li, Ying Liu, Sihua Lu, Kyung-Eun Min, Franz Rohrer, Min Shao, Baolin Wang, Ming Wang, Yusheng Wu, Limin Zeng, Yinson Zhang, Andreas Wahner, and Yuanhang Zhang
Atmos. Chem. Phys., 17, 645–661, https://doi.org/10.5194/acp-17-645-2017, https://doi.org/10.5194/acp-17-645-2017, 2017
Short summary
Short summary
OH reactivity was measured during a 1-month long campaign at a rural site in the North China Plain in 2014. OH reactivity measurements are compared to calculations using OH reactant measurements. Good agreement is found indicating that all important OH reactants were measured. In addition, the chemical OH budget is analyzed. In contrast to previous campaigns in China in 2006, no significant imbalance between OH production and destruction is found.
Hannah Meusel, Uwe Kuhn, Andreas Reiffs, Chinmay Mallik, Hartwig Harder, Monica Martinez, Jan Schuladen, Birger Bohn, Uwe Parchatka, John N. Crowley, Horst Fischer, Laura Tomsche, Anna Novelli, Thorsten Hoffmann, Ruud H. H. Janssen, Oscar Hartogensis, Michael Pikridas, Mihalis Vrekoussis, Efstratios Bourtsoukidis, Bettina Weber, Jos Lelieveld, Jonathan Williams, Ulrich Pöschl, Yafang Cheng, and Hang Su
Atmos. Chem. Phys., 16, 14475–14493, https://doi.org/10.5194/acp-16-14475-2016, https://doi.org/10.5194/acp-16-14475-2016, 2016
Short summary
Short summary
There are many studies which show discrepancies between modeled and measured nitrous acid (HONO, precursor of OH radical) in the troposphere but with no satisfactory explanation. Ideal conditions to study the unknown sources of HONO were found on Cyprus, a remote Mediterranean island. Budget analysis of trace gas measurements indicates a common source of NO and HONO, which is not related to anthropogenic activity and is most likely derived from biologic activity in soils and subsequent emission.
Mehrnaz Sarrafzadeh, Jürgen Wildt, Iida Pullinen, Monika Springer, Einhard Kleist, Ralf Tillmann, Sebastian H. Schmitt, Cheng Wu, Thomas F. Mentel, Defeng Zhao, Donald R. Hastie, and Astrid Kiendler-Scharr
Atmos. Chem. Phys., 16, 11237–11248, https://doi.org/10.5194/acp-16-11237-2016, https://doi.org/10.5194/acp-16-11237-2016, 2016
Short summary
Short summary
We investigated NOx impacts on the formation of secondary organic aerosol (SOA) mass from b-pinene and we could reveal two different mechanisms of impacts. One of them was the impact of NOx on OH that could explain increasing SOA yield with increasing NOx at low NOx conditions. The other was the suppression of new particle formation limiting the condensational sink for the SOA precursors. This effect could explain a substantial fraction of the decrease of SOA yield observed at high NOx.
Simon Schallhart, Pekka Rantala, Eiko Nemitz, Ditte Taipale, Ralf Tillmann, Thomas F. Mentel, Benjamin Loubet, Giacomo Gerosa, Angelo Finco, Janne Rinne, and Taina M. Ruuskanen
Atmos. Chem. Phys., 16, 7171–7194, https://doi.org/10.5194/acp-16-7171-2016, https://doi.org/10.5194/acp-16-7171-2016, 2016
Short summary
Short summary
We present ecosystem exchange fluxes from a mixed oak–hornbeam forest in the Po Valley, Italy. Detectable fluxes were observed for 29 compounds, dominated by isoprene, which comprised over 60 % of the upward flux. Methanol seemed to be deposited to dew, as the deposition happened in the early morning. We estimated that up to 30 % of the upward flux of methyl vinyl ketone and methacrolein originated from atmospheric oxidation of isoprene.
W. Joe F. Acton, Simon Schallhart, Ben Langford, Amy Valach, Pekka Rantala, Silvano Fares, Giulia Carriero, Ralf Tillmann, Sam J. Tomlinson, Ulrike Dragosits, Damiano Gianelle, C. Nicholas Hewitt, and Eiko Nemitz
Atmos. Chem. Phys., 16, 7149–7170, https://doi.org/10.5194/acp-16-7149-2016, https://doi.org/10.5194/acp-16-7149-2016, 2016
Short summary
Short summary
Volatile organic compounds (VOCs) represent a large source of reactive carbon in the atmosphere and hence have a significant impact on air quality. It is therefore important that we can accurately quantify their emission. In this paper we use three methods to determine the fluxes of reactive VOCs from a woodland canopy. We show that two different canopy-scale measurement methods give good agreement, whereas estimates based on leaf-level-based emission underestimate isoprene fluxes.
David Cabrera-Perez, Domenico Taraborrelli, Rolf Sander, and Andrea Pozzer
Atmos. Chem. Phys., 16, 6931–6947, https://doi.org/10.5194/acp-16-6931-2016, https://doi.org/10.5194/acp-16-6931-2016, 2016
Short summary
Short summary
The global atmospheric budget and distribution of monocyclic aromatic compounds is estimated, using an atmospheric chemistry general circulation model. Simulation results are evaluated with observations with the goal of understanding emission, production and removal of these compounds. Anthropogenic and biomass burning are the main sources of aromatic compounds to the atmosphere. The main sink is photochemical decomposition and in lesser importance dry deposition.
Bernadette Rosati, Erik Herrmann, Silvia Bucci, Federico Fierli, Francesco Cairo, Martin Gysel, Ralf Tillmann, Johannes Größ, Gian Paolo Gobbi, Luca Di Liberto, Guido Di Donfrancesco, Alfred Wiedensohler, Ernest Weingartner, Annele Virtanen, Thomas F. Mentel, and Urs Baltensperger
Atmos. Chem. Phys., 16, 4539–4554, https://doi.org/10.5194/acp-16-4539-2016, https://doi.org/10.5194/acp-16-4539-2016, 2016
Short summary
Short summary
We present vertical profiles of aerosol optical properties, which were explored within the planetary boundary layer in a case study in 2012 in the Po Valley region. A comparison of in situ measurements recorded aboard a Zeppelin NT and ground-based remote-sensing data was performed yielding good agreement. Additionally, the role of ambient relative humidity for the aerosol particles' optical properties was investigated.
Hendrik Fuchs, Zhaofeng Tan, Andreas Hofzumahaus, Sebastian Broch, Hans-Peter Dorn, Frank Holland, Christopher Künstler, Sebastian Gomm, Franz Rohrer, Stephanie Schrade, Ralf Tillmann, and Andreas Wahner
Atmos. Meas. Tech., 9, 1431–1447, https://doi.org/10.5194/amt-9-1431-2016, https://doi.org/10.5194/amt-9-1431-2016, 2016
Short summary
Short summary
The hydroxyl radical is the key reactant that controls the chemical transformation of pollutants in the atmosphere. Observations of nighttime radicals concentrations were larger than predicted by models in field campaigns in forested and urban environments. Here, we investigated, if measurements could have been affected by artifacts. No significant interferences were found for atmospheric concentrations of reactants in ozonolysis experiments, but small artificats from nitrate radicals.
Patrick Jöckel, Holger Tost, Andrea Pozzer, Markus Kunze, Oliver Kirner, Carl A. M. Brenninkmeijer, Sabine Brinkop, Duy S. Cai, Christoph Dyroff, Johannes Eckstein, Franziska Frank, Hella Garny, Klaus-Dirk Gottschaldt, Phoebe Graf, Volker Grewe, Astrid Kerkweg, Bastian Kern, Sigrun Matthes, Mariano Mertens, Stefanie Meul, Marco Neumaier, Matthias Nützel, Sophie Oberländer-Hayn, Roland Ruhnke, Theresa Runde, Rolf Sander, Dieter Scharffe, and Andreas Zahn
Geosci. Model Dev., 9, 1153–1200, https://doi.org/10.5194/gmd-9-1153-2016, https://doi.org/10.5194/gmd-9-1153-2016, 2016
Short summary
Short summary
With an advanced numerical global chemistry climate model (CCM) we performed several detailed
combined hind-cast and projection simulations of the period 1950 to 2100 to assess the
past, present, and potential future dynamical and chemical state of the Earth atmosphere.
The manuscript documents the model and the various applied model set-ups and provides
a first evaluation of the simulation results from a global perspective as a quality check of the data.
T. Hohaus, U. Kuhn, S. Andres, M. Kaminski, F. Rohrer, R. Tillmann, A. Wahner, R. Wegener, Z. Yu, and A. Kiendler-Scharr
Atmos. Meas. Tech., 9, 1247–1259, https://doi.org/10.5194/amt-9-1247-2016, https://doi.org/10.5194/amt-9-1247-2016, 2016
Short summary
Short summary
As an extension of the atmosphere simulation chamber SAPHIR, an environmentally-controlled dynamic (flow-through) plant chamber under SAPHIR (SAPHIR-PLUS) was developed. This facility allows for feeding a natural blend of biogenic trace gases into SAPHIR. PLUS is utilized to characterize the atmospheric chemistry of natural trace gas mixtures at close to ambient concentration levels. In this study, the results of the initial characterization experiments are presented in detail.
M. Dal Maso, L. Liao, J. Wildt, A. Kiendler-Scharr, E. Kleist, R. Tillmann, M. Sipilä, J. Hakala, K. Lehtipalo, M. Ehn, V.-M. Kerminen, M. Kulmala, D. Worsnop, and T. Mentel
Atmos. Chem. Phys., 16, 1955–1970, https://doi.org/10.5194/acp-16-1955-2016, https://doi.org/10.5194/acp-16-1955-2016, 2016
Short summary
Short summary
In this paper, we present the first direct laboratory observations of nanoparticle formation from sulfuric acid and realistic BVOC precursor vapour mixtures performed at atmospherically relevant concentration levels. We found that the formation rate was proportional to the product of sulphuric acid and biogenic VOC emission strength, and that the formation rates were consistent with a mechanism in which nucleating BVOC oxidation products are rapidly formed and activate with sulfuric acid.
A. W. H. Chan, N. M. Kreisberg, T. Hohaus, P. Campuzano-Jost, Y. Zhao, D. A. Day, L. Kaser, T. Karl, A. Hansel, A. P. Teng, C. R. Ruehl, D. T. Sueper, J. T. Jayne, D. R. Worsnop, J. L. Jimenez, S. V. Hering, and A. H. Goldstein
Atmos. Chem. Phys., 16, 1187–1205, https://doi.org/10.5194/acp-16-1187-2016, https://doi.org/10.5194/acp-16-1187-2016, 2016
Short summary
Short summary
Using a novel instrument, we have made measurements of organic compounds that can exist as a gas or particle in the rural atmosphere. Through hourly measurements, we have identified the sources and atmospheric processes of these compounds, which are important for modeling the climate and health impact of these emissions.
D. F. Zhao, A. Buchholz, B. Kortner, P. Schlag, F. Rubach, H. Fuchs, A. Kiendler-Scharr, R. Tillmann, A. Wahner, Å. K. Watne, M. Hallquist, J. M. Flores, Y. Rudich, K. Kristensen, A. M. K. Hansen, M. Glasius, I. Kourtchev, M. Kalberer, and Th. F. Mentel
Atmos. Chem. Phys., 16, 1105–1121, https://doi.org/10.5194/acp-16-1105-2016, https://doi.org/10.5194/acp-16-1105-2016, 2016
Short summary
Short summary
This study investigated the cloud droplet activation behavior and hygroscopic growth of mixed anthropogenic and biogenic SOA (ABSOA) compared to pure biogenic SOA (BSOA) and pure anthropogenic SOA (ASOA). Cloud droplet activation behaviors of different types of SOA were similar. In contrast, the hygroscopicity of ASOA was higher than BSOA and ABSOA. ASOA components enhanced the hygroscopicity of the ABSOA. Yet this enhancement cannot be described by a linear mixing of pure SOA systems.
A. J. G. Baumgaertner, P. Jöckel, A. Kerkweg, R. Sander, and H. Tost
Geosci. Model Dev., 9, 125–135, https://doi.org/10.5194/gmd-9-125-2016, https://doi.org/10.5194/gmd-9-125-2016, 2016
Short summary
Short summary
The Community Earth System Model (CESM1) is connected to the the Modular Earth Submodel System (MESSy) as a new base model. This allows MESSy users the option to utilize either the state-of-the art spectral element atmosphere dynamical core or the finite volume core of CESM1. Additionally, this makes several other component models available to MESSy users.
P. Roldin, L. Liao, D. Mogensen, M. Dal Maso, A. Rusanen, V.-M. Kerminen, T. F. Mentel, J. Wildt, E. Kleist, A. Kiendler-Scharr, R. Tillmann, M. Ehn, M. Kulmala, and M. Boy
Atmos. Chem. Phys., 15, 10777–10798, https://doi.org/10.5194/acp-15-10777-2015, https://doi.org/10.5194/acp-15-10777-2015, 2015
Short summary
Short summary
We used the ADCHAM model to study new particle formation events in the JPAC chamber. The model results show that the new particles may be formed by a kinetic type of nucleation involving both sulphuric acid and organic compounds formed from OH oxidation of volatile organic compounds (VOCs). The observed particle growth may either be controlled by the condensation of semi- and low-volatililty organic compounds or by the formation of low-volatility compounds (oligomers) at the particle surface.
H. Fischer, A. Pozzer, T. Schmitt, P. Jöckel, T. Klippel, D. Taraborrelli, and J. Lelieveld
Atmos. Chem. Phys., 15, 6971–6980, https://doi.org/10.5194/acp-15-6971-2015, https://doi.org/10.5194/acp-15-6971-2015, 2015
R. Sander
Atmos. Chem. Phys., 15, 4399–4981, https://doi.org/10.5194/acp-15-4399-2015, https://doi.org/10.5194/acp-15-4399-2015, 2015
J. Kaiser, G. M. Wolfe, B. Bohn, S. Broch, H. Fuchs, L. N. Ganzeveld, S. Gomm, R. Häseler, A. Hofzumahaus, F. Holland, J. Jäger, X. Li, I. Lohse, K. Lu, A. S. H. Prévôt, F. Rohrer, R. Wegener, R. Wolf, T. F. Mentel, A. Kiendler-Scharr, A. Wahner, and F. N. Keutsch
Atmos. Chem. Phys., 15, 1289–1298, https://doi.org/10.5194/acp-15-1289-2015, https://doi.org/10.5194/acp-15-1289-2015, 2015
Short summary
Short summary
Using measurements acquired from a Zeppelin airship during the PEGASOS 2012 campaign, we show that VOC oxidation alone cannot account for the formaldehyde concentrations observed in the morning over rural Italy. Vertical profiles suggest a ground-level source of HCHO. Incorporating this additional HCHO source into a photochemical model increases calculated O3 production by as much as 12%.
D. F. Zhao, M. Kaminski, P. Schlag, H. Fuchs, I.-H. Acir, B. Bohn, R. Häseler, A. Kiendler-Scharr, F. Rohrer, R. Tillmann, M. J. Wang, R. Wegener, J. Wildt, A. Wahner, and Th. F. Mentel
Atmos. Chem. Phys., 15, 991–1012, https://doi.org/10.5194/acp-15-991-2015, https://doi.org/10.5194/acp-15-991-2015, 2015
R. Oswald, M. Ermel, K. Hens, A. Novelli, H. G. Ouwersloot, P. Paasonen, T. Petäjä, M. Sipilä, P. Keronen, J. Bäck, R. Königstedt, Z. Hosaynali Beygi, H. Fischer, B. Bohn, D. Kubistin, H. Harder, M. Martinez, J. Williams, T. Hoffmann, I. Trebs, and M. Sörgel
Atmos. Chem. Phys., 15, 799–813, https://doi.org/10.5194/acp-15-799-2015, https://doi.org/10.5194/acp-15-799-2015, 2015
Short summary
Short summary
Nitrous acid (HONO) is a key species in atmospheric photochemistry since the photolysis leads to the important hydroxyl radical (OH). Although the importance of HONO as a precursor of OH is known, the formation pathways of HONO, especially during daytime, are a major challenge in atmospheric science. We present a detailed analysis of sources and sinks for HONO in the atmosphere for a field measurement campaign in the boreal forest in Finland and wonder if there is really a source term missing.
R. Sander, P. Jöckel, O. Kirner, A. T. Kunert, J. Landgraf, and A. Pozzer
Geosci. Model Dev., 7, 2653–2662, https://doi.org/10.5194/gmd-7-2653-2014, https://doi.org/10.5194/gmd-7-2653-2014, 2014
A. Novelli, K. Hens, C. Tatum Ernest, D. Kubistin, E. Regelin, T. Elste, C. Plass-Dülmer, M. Martinez, J. Lelieveld, and H. Harder
Atmos. Meas. Tech., 7, 3413–3430, https://doi.org/10.5194/amt-7-3413-2014, https://doi.org/10.5194/amt-7-3413-2014, 2014
K. Hens, A. Novelli, M. Martinez, J. Auld, R. Axinte, B. Bohn, H. Fischer, P. Keronen, D. Kubistin, A. C. Nölscher, R. Oswald, P. Paasonen, T. Petäjä, E. Regelin, R. Sander, V. Sinha, M. Sipilä, D. Taraborrelli, C. Tatum Ernest, J. Williams, J. Lelieveld, and H. Harder
Atmos. Chem. Phys., 14, 8723–8747, https://doi.org/10.5194/acp-14-8723-2014, https://doi.org/10.5194/acp-14-8723-2014, 2014
H. Fuchs, I.-H. Acir, B. Bohn, T. Brauers, H.-P. Dorn, R. Häseler, A. Hofzumahaus, F. Holland, M. Kaminski, X. Li, K. Lu, A. Lutz, S. Nehr, F. Rohrer, R. Tillmann, R. Wegener, and A. Wahner
Atmos. Chem. Phys., 14, 7895–7908, https://doi.org/10.5194/acp-14-7895-2014, https://doi.org/10.5194/acp-14-7895-2014, 2014
S. Nehr, B. Bohn, H.-P. Dorn, H. Fuchs, R. Häseler, A. Hofzumahaus, X. Li, F. Rohrer, R. Tillmann, and A. Wahner
Atmos. Chem. Phys., 14, 6941–6952, https://doi.org/10.5194/acp-14-6941-2014, https://doi.org/10.5194/acp-14-6941-2014, 2014
J. M. Flores, D. F. Zhao, L. Segev, P. Schlag, A. Kiendler-Scharr, H. Fuchs, Å. K. Watne, N. Bluvshtein, Th. F. Mentel, M. Hallquist, and Y. Rudich
Atmos. Chem. Phys., 14, 5793–5806, https://doi.org/10.5194/acp-14-5793-2014, https://doi.org/10.5194/acp-14-5793-2014, 2014
J. Kaiser, X. Li, R. Tillmann, I. Acir, F. Holland, F. Rohrer, R. Wegener, and F. N. Keutsch
Atmos. Meas. Tech., 7, 1571–1580, https://doi.org/10.5194/amt-7-1571-2014, https://doi.org/10.5194/amt-7-1571-2014, 2014
K. D. Lu, F. Rohrer, F. Holland, H. Fuchs, T. Brauers, A. Oebel, R. Dlugi, M. Hu, X. Li, S. R. Lou, M. Shao, T. Zhu, A. Wahner, Y. H. Zhang, and A. Hofzumahaus
Atmos. Chem. Phys., 14, 4979–4999, https://doi.org/10.5194/acp-14-4979-2014, https://doi.org/10.5194/acp-14-4979-2014, 2014
S. Bleicher, J. C. Buxmann, R. Sander, T. P. Riedel, J. A. Thornton, U. Platt, and C. Zetzsch
Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acpd-14-10135-2014, https://doi.org/10.5194/acpd-14-10135-2014, 2014
Revised manuscript has not been submitted
M. S. Long, W. C. Keene, R. C. Easter, R. Sander, X. Liu, A. Kerkweg, and D. Erickson
Atmos. Chem. Phys., 14, 3397–3425, https://doi.org/10.5194/acp-14-3397-2014, https://doi.org/10.5194/acp-14-3397-2014, 2014
J. Wildt, T. F. Mentel, A. Kiendler-Scharr, T. Hoffmann, S. Andres, M. Ehn, E. Kleist, P. Müsgen, F. Rohrer, Y. Rudich, M. Springer, R. Tillmann, and A. Wahner
Atmos. Chem. Phys., 14, 2789–2804, https://doi.org/10.5194/acp-14-2789-2014, https://doi.org/10.5194/acp-14-2789-2014, 2014
J. A. Adame, M. Martínez, M. Sorribas, P. J. Hidalgo, H. Harder, J.-M. Diesch, F. Drewnick, W. Song, J. Williams, V. Sinha, M. A. Hernández-Ceballos, J. Vilà-Guerau de Arellano, R. Sander, Z. Hosaynali-Beygi, H. Fischer, J. Lelieveld, and B. De la Morena
Atmos. Chem. Phys., 14, 2325–2342, https://doi.org/10.5194/acp-14-2325-2014, https://doi.org/10.5194/acp-14-2325-2014, 2014
R. Sander, A. A. P. Pszenny, W. C. Keene, E. Crete, B. Deegan, M. S. Long, J. R. Maben, and A. H. Young
Earth Syst. Sci. Data, 5, 385–392, https://doi.org/10.5194/essd-5-385-2013, https://doi.org/10.5194/essd-5-385-2013, 2013
H. Keller-Rudek, G. K. Moortgat, R. Sander, and R. Sörensen
Earth Syst. Sci. Data, 5, 365–373, https://doi.org/10.5194/essd-5-365-2013, https://doi.org/10.5194/essd-5-365-2013, 2013
E. Regelin, H. Harder, M. Martinez, D. Kubistin, C. Tatum Ernest, H. Bozem, T. Klippel, Z. Hosaynali-Beygi, H. Fischer, R. Sander, P. Jöckel, R. Königstedt, and J. Lelieveld
Atmos. Chem. Phys., 13, 10703–10720, https://doi.org/10.5194/acp-13-10703-2013, https://doi.org/10.5194/acp-13-10703-2013, 2013
Th. F. Mentel, E. Kleist, S. Andres, M. Dal Maso, T. Hohaus, A. Kiendler-Scharr, Y. Rudich, M. Springer, R. Tillmann, R. Uerlings, A. Wahner, and J. Wildt
Atmos. Chem. Phys., 13, 8755–8770, https://doi.org/10.5194/acp-13-8755-2013, https://doi.org/10.5194/acp-13-8755-2013, 2013
H.-P. Dorn, R. L. Apodaca, S. M. Ball, T. Brauers, S. S. Brown, J. N. Crowley, W. P. Dubé, H. Fuchs, R. Häseler, U. Heitmann, R. L. Jones, A. Kiendler-Scharr, I. Labazan, J. M. Langridge, J. Meinen, T. F. Mentel, U. Platt, D. Pöhler, F. Rohrer, A. A. Ruth, E. Schlosser, G. Schuster, A. J. L. Shillings, W. R. Simpson, J. Thieser, R. Tillmann, R. Varma, D. S. Venables, and A. Wahner
Atmos. Meas. Tech., 6, 1111–1140, https://doi.org/10.5194/amt-6-1111-2013, https://doi.org/10.5194/amt-6-1111-2013, 2013
E. U. Emanuelsson, M. Hallquist, K. Kristensen, M. Glasius, B. Bohn, H. Fuchs, B. Kammer, A. Kiendler-Scharr, S. Nehr, F. Rubach, R. Tillmann, A. Wahner, H.-C. Wu, and Th. F. Mentel
Atmos. Chem. Phys., 13, 2837–2855, https://doi.org/10.5194/acp-13-2837-2013, https://doi.org/10.5194/acp-13-2837-2013, 2013
M. S. Long, W. C. Keene, R. Easter, R. Sander, A. Kerkweg, D. Erickson, X. Liu, and S. Ghan
Geosci. Model Dev., 6, 255–262, https://doi.org/10.5194/gmd-6-255-2013, https://doi.org/10.5194/gmd-6-255-2013, 2013
R. Sander and J. Bottenheim
Earth Syst. Sci. Data, 4, 215–282, https://doi.org/10.5194/essd-4-215-2012, https://doi.org/10.5194/essd-4-215-2012, 2012
E. Kleist, T. F. Mentel, S. Andres, A. Bohne, A. Folkers, A. Kiendler-Scharr, Y. Rudich, M. Springer, R. Tillmann, and J. Wildt
Biogeosciences, 9, 5111–5123, https://doi.org/10.5194/bg-9-5111-2012, https://doi.org/10.5194/bg-9-5111-2012, 2012
Related subject area
Atmospheric sciences
New submodel for emissions from Explosive Volcanic ERuptions (EVER v1.1) within the Modular Earth Submodel System (MESSy, version 2.55.1)
Quantifying the oscillatory evolution of simulated boundary-layer cloud fields using Gaussian process regression
Numerical investigations on the modelling of ultrafine particles in SSH-aerosol-v1.3a: size resolution and redistribution
The third Met Office Unified Model–JULES Regional Atmosphere and Land Configuration, RAL3
The sensitivity of aerosol data assimilation to vertical profiles: case study of dust storm assimilation with LOTOS-EUROS v2.2
Knowledge-inspired fusion strategies for the inference of PM2.5 values with a neural network
Tuning the ICON-A 2.6.4 climate model with machine-learning-based emulators and history matching
A novel method for quantifying the contribution of regional transport to PM2.5 in Beijing (2013–2020): combining machine learning with concentration-weighted trajectory analysis
Quantification of CO2 hotspot emissions from OCO-3 SAM CO2 satellite images using deep learning methods
Diagnosis of winter precipitation types using the spectral bin model (version 1DSBM-19M): comparison of five methods using ICE-POP 2018 field experiment data
Improving winter condition simulations in SURFEX-TEB v9.0 with a multi-layer snow model and ice
UA-ICON with the NWP physics package (version ua-icon-2.1): mean state and variability of the middle atmosphere
Integrated Methane Inversion (IMI) 2.0: an improved research and stakeholder tool for monitoring total methane emissions with high resolution worldwide using TROPOMI satellite observations
HTAP3 Fires: towards a multi-model, multi-pollutant study of fire impacts
Using a data-driven statistical model to better evaluate surface turbulent heat fluxes in weather and climate numerical models: a demonstration study
Pochva: a new hydro-thermal process model in soil, snow, and vegetation for application in atmosphere numerical models
ClimKern v1.2: a new Python package and kernel repository for calculating radiative feedbacks
Accounting for effects of coagulation and model uncertainties in particle number concentration estimates based on measurements from sampling lines – a Bayesian inversion approach with SLIC v1.0
Top-down CO emission estimates using TROPOMI CO data in the TM5-4DVAR (r1258) inverse modeling suit
The Multi-Compartment Hg Modeling and Analysis Project (MCHgMAP): mercury modeling to support international environmental policy
Similarity-based analysis of atmospheric organic compounds for machine learning applications
Porting the Meso-NH atmospheric model on different GPU architectures for the next generation of supercomputers (version MESONH-v55-OpenACC)
Estimation of aerosol and cloud radiative heating rate in the tropical stratosphere using a radiative kernel method
Evaluation of dust emission and land surface schemes in predicting a mega Asian dust storm over South Korea using WRF-Chem
Sensitivity studies of a four-dimensional local ensemble transform Kalman filter coupled with WRF-Chem version 3.9.1 for improving particulate matter simulation accuracy
A Bayesian method for predicting background radiation at environmental monitoring stations in local-scale networks
Inclusion of the ECMWF ecRad radiation scheme (v1.5.0) in the MAR (v3.14), regional evaluation for Belgium, and assessment of surface shortwave spectral fluxes at Uccle
Development of a fast radiative transfer model for ground-based microwave radiometers (ARMS-gb v1.0): validation and comparison to RTTOV-gb
Indian Institute of Tropical Meteorology (IITM) High-Resolution Global Forecast Model version 1: an attempt to resolve monsoon prediction deadlock
Cell-tracking-based framework for assessing nowcasting model skill in reproducing growth and decay of convective rainfall
NeuralMie (v1.0): an aerosol optics emulator
A REtrieval Method for optical and physical Aerosol Properties in the stratosphere (REMAPv1)
Simulation performance of planetary boundary layer schemes in WRF v4.3.1 for near-surface wind over the western Sichuan Basin: a single-site assessment
FootNet v1.0: development of a machine learning emulator of atmospheric transport
Updates and evaluation of NOAA's online-coupled air quality model version 7 (AQMv7) within the Unified Forecast System
Quantifying the analysis uncertainty for nowcasting application
Improving the ensemble square root filter (EnSRF) in the Community Inversion Framework: a case study with ICON-ART 2024.01
The MESSy DWARF (based on MESSy v2.55.2)
Generalized local fractions – a method for the calculation of sensitivities to emissions from multiple sources for chemically active species, illustrated using the EMEP MSC-W model (rv5.5)
SanDyPALM v1.0: Static and Dynamic Drivers for the PALM-4U Model to Facilitate Realistic Urban Microclimate Simulations
An enhanced emission module for the PALM model system 23.10 with application for PM10 emission from urban domestic heating
Identifying lightning processes in ERA5 soundings with deep learning
Sensitivity of predicted ultrafine particle size distributions in Europe to different nucleation rate parameterizations using PMCAMx-UF v2.2
Explaining neural networks for detection of tropical cyclones and atmospheric rivers in gridded atmospheric simulation data
Implementation of a dry deposition module (DEPAC v3.11) in a large eddy simulation code (DALES v4.4)
Accurate and fast prediction of radioactive pollution by Kriging coupled with Auto-Associative Models
Mitigating Hail Overforecasting in the 2-Moment Milbrandt-Yau Microphysics Scheme (v2.25.2_beta_04) in WRF (v4.5.1) by Incorporating the Graupel Spongy Wet Growth Process (MY2_GSWG v1.0)
PALACE v1.0: Paranal Airglow Line And Continuum Emission model
Accurate space-based NOx emission estimates with the flux divergence approach require fine-scale model information on local oxidation chemistry and profile shapes
Exploring a high-level programming model for the NWP domain using ECMWF microphysics schemes
Matthias Kohl, Christoph Brühl, Jennifer Schallock, Holger Tost, Patrick Jöckel, Adrian Jost, Steffen Beirle, Michael Höpfner, and Andrea Pozzer
Geosci. Model Dev., 18, 3985–4007, https://doi.org/10.5194/gmd-18-3985-2025, https://doi.org/10.5194/gmd-18-3985-2025, 2025
Short summary
Short summary
SO2 from explosive volcanic eruptions reaching the stratosphere can oxidize and form sulfur aerosols, potentially persisting for several years. We developed a new submodel, Explosive Volcanic ERuptions (EVER), that seamlessly includes stratospheric volcanic SO2 emissions in global numerical simulations based on a novel standard historical model setup, successfully evaluated with satellite observations. Sensitivity studies on the Nabro eruption in 2011 evaluate different emission methods.
Gunho Loren Oh and Philip H. Austin
Geosci. Model Dev., 18, 3921–3940, https://doi.org/10.5194/gmd-18-3921-2025, https://doi.org/10.5194/gmd-18-3921-2025, 2025
Short summary
Short summary
It is difficult to study the behaviour of a cloud field due to internal fluctuations and observational noise. We perform a high-resolution simulation of the boundary-layer cloud field and introduce statistical and numerical techniques, including machine-learning models, to study the evolution of the cloud field, which shows a periodic behaviour. We aim to use the numerical techniques to identify the underlying behaviour within noisy observations.
Oscar Jacquot and Karine Sartelet
Geosci. Model Dev., 18, 3965–3984, https://doi.org/10.5194/gmd-18-3965-2025, https://doi.org/10.5194/gmd-18-3965-2025, 2025
Short summary
Short summary
Modelling the size distribution and the number concentration is important to represent ultrafine particles. A new analytic formulation is presented to compute coagulation partition coefficients, allowing us to lower the numerical diffusion associated with the resolution of aerosol dynamics. The significance of this effect is assessed in a 0D box model and over greater Paris with a chemistry transport model, using different size resolutions of the particle distribution.
Mike Bush, David L. A. Flack, Huw W. Lewis, Sylvia I. Bohnenstengel, Chris J. Short, Charmaine Franklin, Adrian P. Lock, Martin Best, Paul Field, Anne McCabe, Kwinten Van Weverberg, Segolene Berthou, Ian Boutle, Jennifer K. Brooke, Seb Cole, Shaun Cooper, Gareth Dow, John Edwards, Anke Finnenkoetter, Kalli Furtado, Kate Halladay, Kirsty Hanley, Margaret A. Hendry, Adrian Hill, Aravindakshan Jayakumar, Richard W. Jones, Humphrey Lean, Joshua C. K. Lee, Andy Malcolm, Marion Mittermaier, Saji Mohandas, Stuart Moore, Cyril Morcrette, Rachel North, Aurore Porson, Susan Rennie, Nigel Roberts, Belinda Roux, Claudio Sanchez, Chun-Hsu Su, Simon Tucker, Simon Vosper, David Walters, James Warner, Stuart Webster, Mark Weeks, Jonathan Wilkinson, Michael Whitall, Keith D. Williams, and Hugh Zhang
Geosci. Model Dev., 18, 3819–3855, https://doi.org/10.5194/gmd-18-3819-2025, https://doi.org/10.5194/gmd-18-3819-2025, 2025
Short summary
Short summary
RAL configurations define settings for the Unified Model atmosphere and Joint UK Land Environment Simulator. The third version of the Regional Atmosphere and Land (RAL3) science configuration for kilometre- and sub-kilometre-scale modelling represents a major advance compared to previous versions (RAL2) by delivering a common science definition for applications in tropical and mid-latitude regions. RAL3 has more realistic precipitation distributions and an improved representation of clouds and visibility.
Mijie Pang, Jianbing Jin, Ting Yang, Xi Chen, Arjo Segers, Batjargal Buyantogtokh, Yixuan Gu, Jiandong Li, Hai Xiang Lin, Hong Liao, and Wei Han
Geosci. Model Dev., 18, 3781–3798, https://doi.org/10.5194/gmd-18-3781-2025, https://doi.org/10.5194/gmd-18-3781-2025, 2025
Short summary
Short summary
Aerosol data assimilation has gained popularity as it combines the advantages of modelling and observation. However, few studies have addressed the challenges in the prior vertical structure. Different observations are assimilated to examine the sensitivity of assimilation to vertical structure. Results show that assimilation can optimize the dust field in general. However, if the prior introduces an incorrect structure, the assimilation can significantly deteriorate the integrity of the aerosol profile.
Matthieu Dabrowski, José Mennesson, Jérôme Riedi, Chaabane Djeraba, and Pierre Nabat
Geosci. Model Dev., 18, 3707–3733, https://doi.org/10.5194/gmd-18-3707-2025, https://doi.org/10.5194/gmd-18-3707-2025, 2025
Short summary
Short summary
This work focuses on the prediction of aerosol concentration values at the ground level, which are a strong indicator of air quality, using artificial neural networks. A study of different variables and their efficiency as inputs for these models is also proposed and reveals that the best results are obtained when using all of them. Comparison between network architectures and information fusion methods allows for the extraction of knowledge on the most efficient methods in the context of this study.
Pauline Bonnet, Lorenzo Pastori, Mierk Schwabe, Marco Giorgetta, Fernando Iglesias-Suarez, and Veronika Eyring
Geosci. Model Dev., 18, 3681–3706, https://doi.org/10.5194/gmd-18-3681-2025, https://doi.org/10.5194/gmd-18-3681-2025, 2025
Short summary
Short summary
Tuning a climate model means adjusting uncertain parameters in the model to best match observations like the global radiation balance and cloud cover. This is usually done by running many simulations of the model with different settings, which can be time-consuming and relies heavily on expert knowledge. To make this process faster and more objective, we developed a machine learning emulator to create a large ensemble and apply a method called history matching to find the best settings.
Kang Hu, Hong Liao, Dantong Liu, Jianbing Jin, Lei Chen, Siyuan Li, Yangzhou Wu, Changhao Wu, Shitong Zhao, Xiaotong Jiang, Ping Tian, Kai Bi, Ye Wang, and Delong Zhao
Geosci. Model Dev., 18, 3623–3634, https://doi.org/10.5194/gmd-18-3623-2025, https://doi.org/10.5194/gmd-18-3623-2025, 2025
Short summary
Short summary
This study combines machine learning with concentration-weighted trajectory analysis to quantify regional transport PM2.5. From 2013–2020, local emissions dominated Beijing's pollution events. The Air Pollution Prevention and Control Action Plan reduced regional transport pollution, but the eastern region showed the smallest decrease. Beijing should prioritize local emission reduction while considering the east region's contributions in future strategies.
Joffrey Dumont Le Brazidec, Pierre Vanderbecken, Alban Farchi, Grégoire Broquet, Gerrit Kuhlmann, and Marc Bocquet
Geosci. Model Dev., 18, 3607–3622, https://doi.org/10.5194/gmd-18-3607-2025, https://doi.org/10.5194/gmd-18-3607-2025, 2025
Short summary
Short summary
We developed a deep learning method to estimate CO2 emissions from power plants using satellite images. Trained and validated on simulated data, our model accurately predicts emissions despite challenges like cloud cover. When applied to real OCO3 satellite images, the results closely match reported emissions. This study shows that neural networks trained on simulations can effectively analyse real satellite data, offering a new way to monitor CO2 emissions from space.
Wonbae Bang, Jacob T. Carlin, Kwonil Kim, Alexander V. Ryzhkov, Guosheng Liu, and GyuWon Lee
Geosci. Model Dev., 18, 3559–3581, https://doi.org/10.5194/gmd-18-3559-2025, https://doi.org/10.5194/gmd-18-3559-2025, 2025
Short summary
Short summary
Microphysics model-based diagnosis, such as the spectral bin model (SBM), has recently been attempted to diagnose winter precipitation types. In this study, the accuracy of SBM-based precipitation type diagnosis is compared with other traditional methods. SBM has a relatively higher accuracy for dry-snow and wet-snow events, whereas it has lower accuracy for rain events. When the microphysics scheme in the SBM was optimized for the corresponding region, the accuracy for rain events improved.
Gabriel Colas, Valéry Masson, François Bouttier, Ludovic Bouilloud, Laura Pavan, and Virve Karsisto
Geosci. Model Dev., 18, 3453–3472, https://doi.org/10.5194/gmd-18-3453-2025, https://doi.org/10.5194/gmd-18-3453-2025, 2025
Short summary
Short summary
In winter, snow- and ice-covered artificial surfaces are important aspects of the urban climate. They may influence the magnitude of the urban heat island effect, but this is still unclear. In this study, we improved the representation of the snow and ice cover in the Town Energy Balance (TEB) urban climate model. Evaluations have shown that the results are promising for using TEB to study the climate of cold cities.
Markus Kunze, Christoph Zülicke, Tarique A. Siddiqui, Claudia C. Stephan, Yosuke Yamazaki, Claudia Stolle, Sebastian Borchert, and Hauke Schmidt
Geosci. Model Dev., 18, 3359–3385, https://doi.org/10.5194/gmd-18-3359-2025, https://doi.org/10.5194/gmd-18-3359-2025, 2025
Short summary
Short summary
We present the Icosahedral Nonhydrostatic (ICON) general circulation model with an upper-atmospheric extension with the physics package for numerical weather prediction (UA-ICON(NWP)). We optimized the parameters for the gravity wave parameterizations and achieved realistic modeling of the thermal and dynamic states of the mesopause regions. UA-ICON(NWP) now shows a realistic frequency of major sudden stratospheric warmings and well-represented solar tides in temperature.
Lucas A. Estrada, Daniel J. Varon, Melissa Sulprizio, Hannah Nesser, Zichong Chen, Nicholas Balasus, Sarah E. Hancock, Megan He, James D. East, Todd A. Mooring, Alexander Oort Alonso, Joannes D. Maasakkers, Ilse Aben, Sabour Baray, Kevin W. Bowman, John R. Worden, Felipe J. Cardoso-Saldaña, Emily Reidy, and Daniel J. Jacob
Geosci. Model Dev., 18, 3311–3330, https://doi.org/10.5194/gmd-18-3311-2025, https://doi.org/10.5194/gmd-18-3311-2025, 2025
Short summary
Short summary
Reducing emissions of methane, a powerful greenhouse gas, is a top policy concern for mitigating anthropogenic climate change. The Integrated Methane Inversion (IMI) is an advanced, cloud-based software that translates satellite observations into actionable emissions data. Here we present IMI version 2.0 with vastly expanded capabilities. These updates enable a wider range of scientific and stakeholder applications from individual basin to global scales with continuous emissions monitoring.
Cynthia H. Whaley, Tim Butler, Jose A. Adame, Rupal Ambulkar, Steve R. Arnold, Rebecca R. Buchholz, Benjamin Gaubert, Douglas S. Hamilton, Min Huang, Hayley Hung, Johannes W. Kaiser, Jacek W. Kaminski, Christoph Knote, Gerbrand Koren, Jean-Luc Kouassi, Meiyun Lin, Tianjia Liu, Jianmin Ma, Kasemsan Manomaiphiboon, Elisa Bergas Masso, Jessica L. McCarty, Mariano Mertens, Mark Parrington, Helene Peiro, Pallavi Saxena, Saurabh Sonwani, Vanisa Surapipith, Damaris Y. T. Tan, Wenfu Tang, Veerachai Tanpipat, Kostas Tsigaridis, Christine Wiedinmyer, Oliver Wild, Yuanyu Xie, and Paquita Zuidema
Geosci. Model Dev., 18, 3265–3309, https://doi.org/10.5194/gmd-18-3265-2025, https://doi.org/10.5194/gmd-18-3265-2025, 2025
Short summary
Short summary
The multi-model experiment design of the HTAP3 Fires project takes a multi-pollutant approach to improving our understanding of transboundary transport of wildland fire and agricultural burning emissions and their impacts. The experiments are designed with the goal of answering science policy questions related to fires. The options for the multi-model approach, including inputs, outputs, and model setup, are discussed, and the official recommendations for the project are presented.
Maurin Zouzoua, Sophie Bastin, Fabienne Lohou, Marie Lothon, Marjolaine Chiriaco, Mathilde Jome, Cécile Mallet, Laurent Barthes, and Guylaine Canut
Geosci. Model Dev., 18, 3211–3239, https://doi.org/10.5194/gmd-18-3211-2025, https://doi.org/10.5194/gmd-18-3211-2025, 2025
Short summary
Short summary
This study proposes using a statistical model to freeze errors due to differences in environmental forcing when evaluating the surface turbulent heat fluxes from numerical simulations with observations. The statistical model is first built with observations and then applied to the simulated environment to generate possibly observed fluxes. This novel method provides insight into differently evaluating the numerical formulation of turbulent heat fluxes with a long period of observational data.
Oxana Drofa
Geosci. Model Dev., 18, 3175–3209, https://doi.org/10.5194/gmd-18-3175-2025, https://doi.org/10.5194/gmd-18-3175-2025, 2025
Short summary
Short summary
This paper presents the result of many years of effort of the author, who developed an original mathematical numerical model of heat and moisture exchange processes in soil, vegetation, and snow. The author relied on her 30 years of research experience in atmospheric numerical modelling. The presented model is the fruit of the author's research on physical processes at the surface–atmosphere interface and their numerical approximation and aims at improving numerical weather forecasting and climate simulations.
Tyler P. Janoski, Ivan Mitevski, Ryan J. Kramer, Michael Previdi, and Lorenzo M. Polvani
Geosci. Model Dev., 18, 3065–3079, https://doi.org/10.5194/gmd-18-3065-2025, https://doi.org/10.5194/gmd-18-3065-2025, 2025
Short summary
Short summary
We developed ClimKern, a Python package and radiative kernel repository, to simplify calculating radiative feedbacks and make climate sensitivity studies more reproducible. Testing of ClimKern with sample climate model data reveals that radiative kernel choice may be more important than previously thought, especially in polar regions. Our work highlights the need for kernel sensitivity analyses to be included in future studies.
Matti Niskanen, Aku Seppänen, Henri Oikarinen, Miska Olin, Panu Karjalainen, Santtu Mikkonen, and Kari Lehtinen
Geosci. Model Dev., 18, 2983–3001, https://doi.org/10.5194/gmd-18-2983-2025, https://doi.org/10.5194/gmd-18-2983-2025, 2025
Short summary
Short summary
Particle size is a key factor determining the properties of aerosol particles which have a major influence on the climate and on human health. When measuring the particle sizes, however, sometimes the sampling lines that transfer the aerosol to the measurement device distort the size distribution, making the measurement unreliable. We propose a method to correct for the distortions and estimate the true particle sizes, improving measurement accuracy.
Johann Rasmus Nüß, Nikos Daskalakis, Fabian Günther Piwowarczyk, Angelos Gkouvousis, Oliver Schneising, Michael Buchwitz, Maria Kanakidou, Maarten C. Krol, and Mihalis Vrekoussis
Geosci. Model Dev., 18, 2861–2890, https://doi.org/10.5194/gmd-18-2861-2025, https://doi.org/10.5194/gmd-18-2861-2025, 2025
Short summary
Short summary
We estimate carbon monoxide emissions through inverse modeling, an approach where measurements of tracers in the atmosphere are fed to a model to calculate backwards in time (inverse) where the tracers came from. We introduce measurements from a new satellite instrument and show that, in most places globally, these on their own sufficiently constrain the emissions. This alleviates the need for additional datasets, which could shorten the delay for future carbon monoxide source estimates.
Ashu Dastoor, Hélène Angot, Johannes Bieser, Flora Brocza, Brock Edwards, Aryeh Feinberg, Xinbin Feng, Benjamin Geyman, Charikleia Gournia, Yipeng He, Ian M. Hedgecock, Ilia Ilyin, Jane Kirk, Che-Jen Lin, Igor Lehnherr, Robert Mason, David McLagan, Marilena Muntean, Peter Rafaj, Eric M. Roy, Andrei Ryjkov, Noelle E. Selin, Francesco De Simone, Anne L. Soerensen, Frits Steenhuisen, Oleg Travnikov, Shuxiao Wang, Xun Wang, Simon Wilson, Rosa Wu, Qingru Wu, Yanxu Zhang, Jun Zhou, Wei Zhu, and Scott Zolkos
Geosci. Model Dev., 18, 2747–2860, https://doi.org/10.5194/gmd-18-2747-2025, https://doi.org/10.5194/gmd-18-2747-2025, 2025
Short summary
Short summary
This paper introduces the Multi-Compartment Mercury (Hg) Modeling and Analysis Project (MCHgMAP) aimed at informing the effectiveness evaluations of two multilateral environmental agreements: the Minamata Convention on Mercury and the Convention on Long-Range Transboundary Air Pollution. The experimental design exploits a variety of models (atmospheric, land, oceanic ,and multimedia mass balance models) to assess the short- and long-term influences of anthropogenic Hg releases into the environment.
Hilda Sandström and Patrick Rinke
Geosci. Model Dev., 18, 2701–2724, https://doi.org/10.5194/gmd-18-2701-2025, https://doi.org/10.5194/gmd-18-2701-2025, 2025
Short summary
Short summary
Machine learning has the potential to aid the identification of organic molecules involved in aerosol formation. Yet, progress is stalled by a lack of curated atmospheric molecular datasets. Here, we compared atmospheric compounds with large molecular datasets used in machine learning and found minimal overlap with similarity algorithms. Our result underlines the need for collaborative efforts to curate atmospheric molecular data to facilitate machine learning models in atmospheric sciences.
Juan Escobar, Philippe Wautelet, Joris Pianezze, Florian Pantillon, Thibaut Dauhut, Christelle Barthe, and Jean-Pierre Chaboureau
Geosci. Model Dev., 18, 2679–2700, https://doi.org/10.5194/gmd-18-2679-2025, https://doi.org/10.5194/gmd-18-2679-2025, 2025
Short summary
Short summary
The Meso-NH weather research code is adapted for GPUs using OpenACC, leading to significant performance and energy efficiency improvements. Called MESONH-v55-OpenACC, it includes enhanced memory management, communication optimizations and a new solver. On the AMD MI250X Adastra platform, it achieved up to 6× speedup and 2.3× energy efficiency gain compared to CPUs. Storm simulations at 100 m resolution show positive results, positioning the code for future use on exascale supercomputers.
Jie Gao, Yi Huang, Jonathon S. Wright, Ke Li, Tao Geng, and Qiurun Yu
Geosci. Model Dev., 18, 2569–2586, https://doi.org/10.5194/gmd-18-2569-2025, https://doi.org/10.5194/gmd-18-2569-2025, 2025
Short summary
Short summary
The aerosol in the upper troposphere and stratosphere is highly variable, and its radiative effect is poorly understood. To estimate this effect, the radiative kernel is constructed and applied. The results show that the kernels can reproduce aerosol radiative effects and are expected to simulate stratospheric aerosol radiative effects. This approach reduces computational expense, is consistent with radiative model calculations, and can be applied to atmospheric models with speed requirements.
Ji Won Yoon, Seungyeon Lee, Ebony Lee, and Seon Ki Park
Geosci. Model Dev., 18, 2303–2328, https://doi.org/10.5194/gmd-18-2303-2025, https://doi.org/10.5194/gmd-18-2303-2025, 2025
Short summary
Short summary
This study evaluates the Weather Research and Forecasting Model (WRF) coupled with Chemistry (WRF-Chem) to predict a mega Asian dust storm (ADS) over South Korea on 28–29 March 2021. We assessed combinations of five dust emission and four land surface schemes by analyzing meteorological and air quality variables. The best scheme combination reduced the root mean square error (RMSE) for particulate matter 10 (PM10) by up to 29.6 %, demonstrating the highest performance.
Jianyu Lin, Tie Dai, Lifang Sheng, Weihang Zhang, Shangfei Hai, and Yawen Kong
Geosci. Model Dev., 18, 2231–2248, https://doi.org/10.5194/gmd-18-2231-2025, https://doi.org/10.5194/gmd-18-2231-2025, 2025
Short summary
Short summary
The effectiveness of this assimilation system and its sensitivity to the ensemble member size and length of the assimilation window are investigated. This study advances our understanding of the selection of basic parameters in the four-dimensional local ensemble transform Kalman filter assimilation system and the performance of ensemble simulation in a particulate-matter-polluted environment.
Jens Peter Karolus Wenceslaus Frankemölle, Johan Camps, Pieter De Meutter, and Johan Meyers
Geosci. Model Dev., 18, 1989–2003, https://doi.org/10.5194/gmd-18-1989-2025, https://doi.org/10.5194/gmd-18-1989-2025, 2025
Short summary
Short summary
To detect anomalous radioactivity in the environment, it is paramount that we understand the natural background level. In this work, we propose a statistical model to describe the most likely background level and the associated uncertainty in a network of dose rate detectors. We train, verify, and validate the model using real environmental data. Using the model, we show that we can correctly predict the background level in a subset of the detector network during a known
anomalous event.
Jean-François Grailet, Robin J. Hogan, Nicolas Ghilain, David Bolsée, Xavier Fettweis, and Marilaure Grégoire
Geosci. Model Dev., 18, 1965–1988, https://doi.org/10.5194/gmd-18-1965-2025, https://doi.org/10.5194/gmd-18-1965-2025, 2025
Short summary
Short summary
The MAR (Modèle Régional Atmosphérique) is a regional climate model used for weather forecasting and studying the climate over various regions. This paper presents an update of MAR thanks to which it can precisely decompose solar radiation, in particular in the UV (ultraviolet) and photosynthesis ranges, both being critical to human health and ecosystems. As a first application of this new capability, this paper presents a method for predicting UV indices with MAR.
Yi-Ning Shi, Jun Yang, Wei Han, Lujie Han, Jiajia Mao, Wanlin Kan, and Fuzhong Weng
Geosci. Model Dev., 18, 1947–1964, https://doi.org/10.5194/gmd-18-1947-2025, https://doi.org/10.5194/gmd-18-1947-2025, 2025
Short summary
Short summary
Direct assimilation of observations from ground-based microwave radiometers (GMRs) holds significant potential for improving forecast accuracy. Radiative transfer models (RTMs) play a crucial role in direct data assimilation. In this study, we introduce a new RTM, the Advanced Radiative Transfer Modeling System – Ground-Based (ARMS-gb), designed to simulate brightness temperatures observed by GMRs along with their Jacobians. Several enhancements have been incorporated to achieve higher accuracy.
R. Phani Murali Krishna, Siddharth Kumar, A. Gopinathan Prajeesh, Peter Bechtold, Nils Wedi, Kumar Roy, Malay Ganai, B. Revanth Reddy, Snehlata Tirkey, Tanmoy Goswami, Radhika Kanase, Sahadat Sarkar, Medha Deshpande, and Parthasarathi Mukhopadhyay
Geosci. Model Dev., 18, 1879–1894, https://doi.org/10.5194/gmd-18-1879-2025, https://doi.org/10.5194/gmd-18-1879-2025, 2025
Short summary
Short summary
The High-Resolution Global Forecast Model (HGFM) is an advanced iteration of the operational Global Forecast System (GFS) model. HGFM can produce forecasts at a spatial scale of ~6 km in tropics. It demonstrates improved accuracy in short- to medium-range weather prediction over the Indian region, with notable success in predicting extreme events. Further, the model will be entrusted to operational forecasting agencies after validation and testing.
Jenna Ritvanen, Seppo Pulkkinen, Dmitri Moisseev, and Daniele Nerini
Geosci. Model Dev., 18, 1851–1878, https://doi.org/10.5194/gmd-18-1851-2025, https://doi.org/10.5194/gmd-18-1851-2025, 2025
Short summary
Short summary
Nowcasting models struggle with the rapid evolution of heavy rain, and common verification methods are unable to describe how accurately the models predict the growth and decay of heavy rain. We propose a framework to assess model performance. In the framework, convective cells are identified and tracked in the forecasts and observations, and the model skill is then evaluated by comparing differences between forecast and observed cells. We demonstrate the framework with four open-source models.
Andrew Geiss and Po-Lun Ma
Geosci. Model Dev., 18, 1809–1827, https://doi.org/10.5194/gmd-18-1809-2025, https://doi.org/10.5194/gmd-18-1809-2025, 2025
Short summary
Short summary
Particles in the Earth's atmosphere strongly impact the planet's energy budget, and atmosphere simulations require accurate representation of their interaction with light. This work introduces two approaches to represent light scattering by small particles. The first is a scattering simulator based on Mie theory implemented in Python. The second is a neural network emulator that is more accurate than existing methods and is fast enough to be used in climate and weather simulations.
Andrin Jörimann, Timofei Sukhodolov, Beiping Luo, Gabriel Chiodo, Graham Mann, and Thomas Peter
EGUsphere, https://doi.org/10.5194/egusphere-2025-145, https://doi.org/10.5194/egusphere-2025-145, 2025
Short summary
Short summary
Aerosol particles in the stratosphere affect our climate. Climate models therefore need an accurate description of their properties and evolution. Satellites measure how strongly aerosol particles extinguish light passing through the stratosphere. We describe a method to use such aerosol extinction data to retrieve the number and sizes of the aerosol particles and calculate their optical effects. The resulting data sets for models are validated against ground-based and balloon observations.
Qin Wang, Bo Zeng, Gong Chen, and Yaoting Li
Geosci. Model Dev., 18, 1769–1784, https://doi.org/10.5194/gmd-18-1769-2025, https://doi.org/10.5194/gmd-18-1769-2025, 2025
Short summary
Short summary
This study evaluates the performance of four planetary boundary layer (PBL) schemes in near-surface wind fields over the Sichuan Basin, China. Using 112 sensitivity experiments with the Weather Research and Forecasting (WRF) model and focusing on 28 wind events, it is found that wind direction was less sensitive to the PBL schemes. The quasi-normal scale elimination (QNSE) scheme captured temporal variations best, while the Mellor–Yamada–Janjić (MYJ) scheme had the least error in wind speed.
Tai-Long He, Nikhil Dadheech, Tammy M. Thompson, and Alexander J. Turner
Geosci. Model Dev., 18, 1661–1671, https://doi.org/10.5194/gmd-18-1661-2025, https://doi.org/10.5194/gmd-18-1661-2025, 2025
Short summary
Short summary
It is computationally expensive to infer greenhouse gas (GHG) emissions using atmospheric observations. This is partly due to the detailed model used to represent atmospheric transport. We demonstrate how a machine learning (ML) model can be used to simulate high-resolution atmospheric transport. This type of ML model will help estimate GHG emissions using dense observations, which are becoming increasingly common with the proliferation of urban monitoring networks and geostationary satellites.
Wei Li, Beiming Tang, Patrick C. Campbell, Youhua Tang, Barry Baker, Zachary Moon, Daniel Tong, Jianping Huang, Kai Wang, Ivanka Stajner, and Raffaele Montuoro
Geosci. Model Dev., 18, 1635–1660, https://doi.org/10.5194/gmd-18-1635-2025, https://doi.org/10.5194/gmd-18-1635-2025, 2025
Short summary
Short summary
The study describes the updates of NOAA's current UFS-AQMv7 air quality forecast model by incorporating the latest scientific and structural changes in CMAQv5.4. An evaluation during the summer of 2023 shows that the updated model overall improves the simulation of MDA8 O3 by reducing the bias by 8%–12% in the contiguous US. PM2.5 predictions have mixed results due to wildfire, highlighting the need for future refinements.
Yanwei Zhu, Aitor Atencia, Markus Dabernig, and Yong Wang
Geosci. Model Dev., 18, 1545–1559, https://doi.org/10.5194/gmd-18-1545-2025, https://doi.org/10.5194/gmd-18-1545-2025, 2025
Short summary
Short summary
Most works have delved into convective weather nowcasting, and only a few works have discussed the nowcasting uncertainty for variables at the surface level. Hence, we proposed a method to estimate uncertainty. Generating appropriate noises associated with the characteristic of the error in analysis can simulate the uncertainty of nowcasting. This method can contribute to the estimation of near–surface analysis uncertainty in both nowcasting applications and ensemble nowcasting development.
Joël Thanwerdas, Antoine Berchet, Lionel Constantin, Aki Tsuruta, Michael Steiner, Friedemann Reum, Stephan Henne, and Dominik Brunner
Geosci. Model Dev., 18, 1505–1544, https://doi.org/10.5194/gmd-18-1505-2025, https://doi.org/10.5194/gmd-18-1505-2025, 2025
Short summary
Short summary
The Community Inversion Framework (CIF) brings together methods for estimating greenhouse gas fluxes from atmospheric observations. The initial ensemble method implemented in CIF was found to be incomplete and could hardly be compared to other ensemble methods employed in the inversion community. In this paper, we present and evaluate a new implementation of the ensemble mode, building upon the initial developments.
Astrid Kerkweg, Timo Kirfel, Duong H. Do, Sabine Griessbach, Patrick Jöckel, and Domenico Taraborrelli
Geosci. Model Dev., 18, 1265–1286, https://doi.org/10.5194/gmd-18-1265-2025, https://doi.org/10.5194/gmd-18-1265-2025, 2025
Short summary
Short summary
Normally, the Modular Earth Submodel System (MESSy) is linked to complete dynamic models to create chemical climate models. However, the modular concept of MESSy and the newly developed DWARF component presented here make it possible to create simplified models that contain only one or a few process descriptions. This is very useful for technical optimisation, such as porting to GPUs, and can be used to create less complex models, such as a chemical box model.
Peter Wind and Willem van Caspel
EGUsphere, https://doi.org/10.5194/egusphere-2024-3571, https://doi.org/10.5194/egusphere-2024-3571, 2025
Short summary
Short summary
This paper presents a numerical method to assess the origin of air pollution. Combined with a numerical air pollution transport and chemistry model, it can follow the contributions from a large number of emission sources. The result is a series of maps that give the relative contributions from for example all European countries at each point.
Julian Vogel, Sebastian Stadler, Ganesh Chockalingam, Afshin Afshari, Johanna Henning, and Matthias Winkler
EGUsphere, https://doi.org/10.5194/egusphere-2025-144, https://doi.org/10.5194/egusphere-2025-144, 2025
Short summary
Short summary
This study presents a toolkit to simplify input data creation for the urban microclimate model PALM-4U. It introduces novel methods to automate the use of open data sources. Our analysis of four test cases created from different geographic data sources shows variations in temperature, humidity, and wind speed, influenced by data quality. Validation indicates that the automated methods yield results comparable to expert-driven approaches, facilitating user-friendly urban climate modeling.
Edward C. Chan, Ilona J. Jäkel, Basit Khan, Martijn Schaap, Timothy M. Butler, Renate Forkel, and Sabine Banzhaf
Geosci. Model Dev., 18, 1119–1139, https://doi.org/10.5194/gmd-18-1119-2025, https://doi.org/10.5194/gmd-18-1119-2025, 2025
Short summary
Short summary
An enhanced emission module has been developed for the PALM model system, improving flexibility and scalability of emission source representation across different sectors. A model for parametrized domestic emissions has also been included, for which an idealized model run is conducted for particulate matter (PM10). The results show that, in addition to individual sources and diurnal variations in energy consumption, vertical transport and urban topology play a role in concentration distribution.
Gregor Ehrensperger, Thorsten Simon, Georg J. Mayr, and Tobias Hell
Geosci. Model Dev., 18, 1141–1153, https://doi.org/10.5194/gmd-18-1141-2025, https://doi.org/10.5194/gmd-18-1141-2025, 2025
Short summary
Short summary
As lightning is a brief and localized event, it is not explicitly resolved in atmospheric models. Instead, expert-based auxiliary descriptions are used to assess it. This study explores how AI can improve our understanding of lightning without relying on traditional expert knowledge. We reveal that AI independently identified the key factors known to experts as essential for lightning in the Alps region. This shows how knowledge discovery could be sped up in areas with limited expert knowledge.
David Patoulias, Kalliopi Florou, and Spyros N. Pandis
Geosci. Model Dev., 18, 1103–1118, https://doi.org/10.5194/gmd-18-1103-2025, https://doi.org/10.5194/gmd-18-1103-2025, 2025
Short summary
Short summary
The effect of the assumed atmospheric nucleation mechanism on particle number concentrations and size distribution was investigated. Two quite different mechanisms involving sulfuric acid and ammonia or a biogenic organic vapor gave quite similar results which were consistent with measurements at 26 measurement stations across Europe. The number of larger particles that serve as cloud condensation nuclei showed little sensitivity to the assumed nucleation mechanism.
Tim Radke, Susanne Fuchs, Christian Wilms, Iuliia Polkova, and Marc Rautenhaus
Geosci. Model Dev., 18, 1017–1039, https://doi.org/10.5194/gmd-18-1017-2025, https://doi.org/10.5194/gmd-18-1017-2025, 2025
Short summary
Short summary
In our study, we built upon previous work to investigate the patterns artificial intelligence (AI) learns to detect atmospheric features like tropical cyclones (TCs) and atmospheric rivers (ARs). As primary objective, we adopt a method to explain the AI used and investigate the plausibility of learned patterns. We find that plausible patterns are learned for both TCs and ARs. Hence, the chosen method is very useful for gaining confidence in the AI-based detection of atmospheric features.
Leon Geers, Ruud Janssen, Gudrun Thorkelsdottir, Jordi Vilà-Guerau de Arellano, and Martijn Schaap
EGUsphere, https://doi.org/10.5194/egusphere-2025-426, https://doi.org/10.5194/egusphere-2025-426, 2025
Short summary
Short summary
High-resolution data on reactive nitrogen deposition are needed to inform cost-effective policies. Here, we describe the implementation of a dry deposition module into a large eddy simulation code. With this model, we are able to represent the turbulent exchange of tracers at the hectometer resolution. The model calculates the dispersion and deposition of NOx and NH3 in great spatial detail, clearly showing the influence of local land use patterns.
Raphaël Périllat, Sylvain Girard, and Irène Korsakissok
EGUsphere, https://doi.org/10.5194/egusphere-2024-3838, https://doi.org/10.5194/egusphere-2024-3838, 2025
Short summary
Short summary
We developed a method to improve decision-making during nuclear crises by predicting the spread of radiation more efficiently. Existing approaches are often too slow, especially when analyzing complex data like radiation maps. Our method combines techniques to simplify these maps and predict them quickly using statistical tools. This approach could help authorities respond faster and more accurately in emergencies, reducing risks to the population and the environment.
Shaofeng Hua, Gang Chen, Baojun Chen, Mingshan Li, and Xin Xu
EGUsphere, https://doi.org/10.5194/egusphere-2024-3834, https://doi.org/10.5194/egusphere-2024-3834, 2025
Short summary
Short summary
Hail forecasting using numerical models remains a challenge. In this study, we found that the commonly used graupel-to-hail conversion parameterization method led to hail overforecasting in heavy rainfall cases where no hail was observed. By incorporating the spongy wet growth process, we successfully mitigated hail overforecasting. The modified scheme also produced hail in real hail events. This research contributes to a better understanding of hail formation.
Stefan Noll, Carsten Schmidt, Patrick Hannawald, Wolfgang Kausch, and Stefan Kimeswenger
EGUsphere, https://doi.org/10.5194/egusphere-2024-3512, https://doi.org/10.5194/egusphere-2024-3512, 2025
Short summary
Short summary
Non-thermal emission from chemical reactions in the Earth's middle und upper atmosphere strongly contributes to the brightness of the night sky below about 2.3 µm. The new Paranal Airglow Line and Continuum Emission model calculates the emission spectrum and its variability with an unprecedented accuracy. Relying on a large spectroscopic data set from astronomical spectrographs and theoretical molecular/atomic data, it is valuable for airglow research and astronomical observatories.
Felipe Cifuentes, Henk Eskes, Enrico Dammers, Charlotte Bryan, and Folkert Boersma
Geosci. Model Dev., 18, 621–649, https://doi.org/10.5194/gmd-18-621-2025, https://doi.org/10.5194/gmd-18-621-2025, 2025
Short summary
Short summary
We tested the capability of the flux divergence approach (FDA) to reproduce known NOx emissions using synthetic NO2 satellite column retrievals from high-resolution model simulations. The FDA accurately reproduced NOx emissions when column observations were limited to the boundary layer and when the variability of the NO2 lifetime, the NOx : NO2 ratio, and NO2 profile shapes were correctly modeled. This introduces strong model dependency, reducing the simplicity of the original FDA formulation.
Stefano Ubbiali, Christian Kühnlein, Christoph Schär, Linda Schlemmer, Thomas C. Schulthess, Michael Staneker, and Heini Wernli
Geosci. Model Dev., 18, 529–546, https://doi.org/10.5194/gmd-18-529-2025, https://doi.org/10.5194/gmd-18-529-2025, 2025
Short summary
Short summary
We explore a high-level programming model for porting numerical weather prediction (NWP) model codes to graphics processing units (GPUs). We present a Python rewrite with the domain-specific library GT4Py (GridTools for Python) of two renowned cloud microphysics schemes and the associated tangent-linear and adjoint algorithms. We find excellent portability, competitive GPU performance, robust execution on diverse computing architectures, and enhanced code maintainability and user productivity.
Cited articles
Afreh, I. K., Aumont, B., Camredon, M., and Barsanti, K. C.: Using GECKO-A to derive mechanistic understanding of secondary organic aerosol formation from the ubiquitous but understudied camphene, Atmos. Chem. Phys., 21, 11467–11487, https://doi.org/10.5194/acp-21-11467-2021, 2021. a
Al Ali, F., Coeur, C., Houzel, N., Bouya, H., Tomas, A., and Romanias, M. N.: Rate Coefficients for the Gas-Phase Reactions of Nitrate Radicals with a Series of Furan Compounds, J. Phys. Chem. A, 126, 8674–8681, https://doi.org/10.1021/acs.jpca.2c03828, 2022. a
Arey, J., Aschmann, S. M., Kwok, E. S. C., and Atkinson, R.: Alkyl Nitrate, Hydroxyalkyl Nitrate, and Hydroxycarbonyl Formation from the NOx−Air Photooxidations of C5-−C8 n-Alkanes, J. Phys. Chem. A, 105, 1020–1027, https://doi.org/10.1021/jp003292z, 2001. a
Atkinson, R., Arey, J., and Aschmann, S. M.: Atmospheric chemistry of alkanes: Review and recent developments, Atmos. Environ., 42, 5859–5871, https://doi.org/10.1016/j.atmosenv.2007.08.040, 2008. a, b
Ayres, B. R., Allen, H. M., Draper, D. C., Brown, S. S., Wild, R. J., Jimenez, J. L., Day, D. A., Campuzano-Jost, P., Hu, W., de Gouw, J., Koss, A., Cohen, R. C., Duffey, K. C., Romer, P., Baumann, K., Edgerton, E., Takahama, S., Thornton, J. A., Lee, B. H., Lopez-Hilfiker, F. D., Mohr, C., Wennberg, P. O., Nguyen, T. B., Teng, A., Goldstein, A. H., Olson, K., and Fry, J. L.: Organic nitrate aerosol formation via NO3+ biogenic volatile organic compounds in the southeastern United States, Atmos. Chem. Phys., 15, 13377–13392, https://doi.org/10.5194/acp-15-13377-2015, 2015. a
Bates, K. H., Crounse, J. D., St. Clair, J. M., Bennett, N. B., Nguyen, T. B., Seinfeld, J. H., Stoltz, B. M., and Wennberg, P. O.: Gas phase production and loss of isoprene epoxydiols, J. Phys. Chem. A, 118, 1237–1246, https://doi.org/10.1021/jp4107958, 2014. a, b
Brownwood, B., Turdziladze, A., Hohaus, T., Wu, R., Mentel, T. F., Carlsson, P. T., Tsiligiannis, E., Hallquist, M., Andres, S., Hantschke, L., Reimer, D., Rohrer, F., Tillmann, R., Winter, B., Liebmann, J., Brown, S. S., Kiendler-Scharr, A., Novelli, A., Fuchs, H., and Fry, J. L.: Gas-particle partitioning and SOA yields of organonitrate products from NO3-initiated oxidation of isoprene under varied chemical regimes, ACS Earth and Space Chemistry, 5, 785–800, https://doi.org/10.1021/acsearthspacechem.0c00311, 2021. a
Budisulistiorini, S. H., Li, X., Bairai, S. T., Renfro, J., Liu, Y., Liu, Y. J., McKinney, K. A., Martin, S. T., McNeill, V. F., Pye, H. O. T., Nenes, A., Neff, M. E., Stone, E. A., Mueller, S., Knote, C., Shaw, S. L., Zhang, Z., Gold, A., and Surratt, J. D.: Examining the effects of anthropogenic emissions on isoprene-derived secondary organic aerosol formation during the 2013 Southern Oxidant and Aerosol Study (SOAS) at the Look Rock, Tennessee ground site, Atmos. Chem. Phys., 15, 8871–8888, https://doi.org/10.5194/acp-15-8871-2015, 2015. a
Cabrera-Perez, D., Taraborrelli, D., Sander, R., and Pozzer, A.: Global atmospheric budget of simple monocyclic aromatic compounds, Atmos. Chem. Phys., 16, 6931–6947, https://doi.org/10.5194/acp-16-6931-2016, 2016. a, b
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. a
Carlsson, P. T. M., Vereecken, L., Novelli, A., Bernard, F., Brown, S. S., Brownwood, B., Cho, C., Crowley, J. N., Dewald, P., Edwards, P. M., Friedrich, N., Fry, J. L., Hallquist, M., Hantschke, L., Hohaus, T., Kang, S., Liebmann, J., Mayhew, A. W., Mentel, T., Reimer, D., Rohrer, F., Shenolikar, J., Tillmann, R., Tsiligiannis, E., Wu, R., Wahner, A., Kiendler-Scharr, A., and Fuchs, H.: Comparison of isoprene chemical mechanisms under atmospheric night-time conditions in chamber experiments: evidence of hydroperoxy aldehydes and epoxy products from NO3 oxidation, Atmos. Chem. Phys., 23, 3147–3180, https://doi.org/10.5194/acp-23-3147-2023, 2023. a
Carlton, A. G., Turpin, B. J., Altieri, K. E., Seitzinger, S., Reff, A., Lim, H.-J., and Ervens, B.: Atmospheric oxalic acid and SOA production from glyoxal: Results of aqueous photooxidation experiments, Atmos. Environ., 41, 7588–7602, https://doi.org/10.1016/j.atmosenv.2007.05.035, 2007. a
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. a, b
Carslaw, N.: A mechanistic study of limonene oxidation products and pathways following cleaning activities, Atmos. Environ., 80, 507–513, https://doi.org/10.1016/j.atmosenv.2013.08.034, 2013. a, b
Chen, D., Zhao, Y., Zhang, J., Yu, H., and Yu, X.: Characterization and source apportionment of aerosol light scattering in a typical polluted city in the Yangtze River Delta, China, Atmos. Chem. Phys., 20, 10193–10210, https://doi.org/10.5194/acp-20-10193-2020, 2020. a
Cope, J. D., Abellar, K. A., Bates, K. H., Fu, X., and Nguyen, T. B.: Aqueous photochemistry of 2-Methyltetrol and erythritol as sources of formic acid and acetic acid in the atmosphere, ACS Earth and Space Chemistry, 5, 1265–1277, https://doi.org/10.1021/acsearthspacechem.1c00107, 2021. a, b, c
D’Ambro, E. L., Møller, K. H., Lopez-Hilfiker, F. D., Schobesberger, S., Liu, J., Shilling, J. E., Lee, B. H., Kjaergaard, H. G., and Thornton, J. A.: Isomerization of second-generation isoprene peroxy radicals: Epoxide formation and implications for secondary organic aerosol yields, Environ. Sci. Technol., 51, 4978–4987, https://doi.org/10.1021/acs.est.7b00460, 2017. a, b, c
Eddingsaas, N. C., VanderVelde, D. G., and Wennberg, P. O.: Kinetics and products of the acid-catalyzed ring-opening of atmospherically relevant butyl epoxy alcohols, J. Phys. Chem. A, 114, 8106–8113, https://doi.org/10.1021/jp103907c, 2010. a
Ehrhart, S., Dunne, E. M., Manninen, H. E., Nieminen, T., Lelieveld, J., and Pozzer, A.: Two new submodels for the Modular Earth Submodel System (MESSy): New Aerosol Nucleation (NAN) and small ions (IONS) version 1.0, Geosci. Model Dev., 11, 4987–5001, https://doi.org/10.5194/gmd-11-4987-2018, 2018. a
Ervens, B.: Modeling the processing of aerosol and trace gases in clouds and fogs, Chem. Rev., 115, 4157–4198, https://doi.org/10.1021/cr5005887, 2015. a
Franco, B., Blumenstock, T., Cho, C., Clarisse, L., Clerbaux, C., Coheur, P.-F., De Mazière, M., De Smedt, I., Dorn, H.-P., Emmerichs, T., Fuchs, H., Gkatzelis, G., Griffith, D. W. T., Gromov, S., Hannigan, J. W., Hase, F., Hohaus, T., Jones, N., Kerkweg, A., Kiendler-Scharr, A., Lutsch, E., Mahieu, E., Novelli, A., Ortega, I., Paton-Walsh, C., Pommier, M., Pozzer, A., Reimer, D., Rosanka, S., Sander, R., Schneider, M., Strong, K., Tillmann, R., Van Roozendael, M., Vereecken, L., Vigouroux, C., Wahner, A., and Taraborrelli, D.: Ubiquitous atmospheric production of organic acids mediated by cloud droplets, Nature, 593, 233–237, https://doi.org/10.1038/s41586-021-03462-x, 2021. a
Fuchs, H., Holland, F., and Hofzumahaus, A.: Measurement of tropospheric RO2 and HO2 radicals by a laser-induced fluorescence instrument, Rev. Sci. Instrum., 79, 084104, https://doi.org/10.1063/1.2968712, 2008. a
Gilardoni, S., Massoli, P., Paglione, M., Giulianelli, L., Carbone, C., Rinaldi, M., Decesari, S., Sandrini, S., Costabile, F., Gobbi, G. P., Pietrogrande, M. C., Visentin, M., Scotto, F., Fuzzi, S., and Facchini, M. C.: Direct observation of aqueous secondary organic aerosol from biomass-burning emissions, P. Natl. Acad. Sci. USA, 113, 10013–10018, https://doi.org/10.1073/pnas.1602212113, 2016. a
Gkatzelis, G. I., Tillmann, R., Hohaus, T., Müller, M., Eichler, P., Xu, K.-M., Schlag, P., Schmitt, S. H., Wegener, R., Kaminski, M., Holzinger, R., Wisthaler, A., and Kiendler-Scharr, A.: Comparison of three aerosol chemical characterization techniques utilizing PTR-ToF-MS: a study on freshly formed and aged biogenic SOA, Atmos. Meas. Tech., 11, 1481–1500, https://doi.org/10.5194/amt-11-1481-2018, 2018. a
Guo, H., Xu, L., Bougiatioti, A., Cerully, K. M., Capps, S. L., Hite Jr., J. R., Carlton, A. G., Lee, S.-H., Bergin, M. H., Ng, N. L., Nenes, A., and Weber, R. J.: Fine-particle water and pH in the southeastern United States, Atmos. Chem. Phys., 15, 5211–5228, https://doi.org/10.5194/acp-15-5211-2015, 2015. a
Hallquist, M., Wenger, J. C., Baltensperger, U., Rudich, Y., Simpson, D., Claeys, M., Dommen, J., Donahue, N. M., George, C., Goldstein, A. H., Hamilton, J. F., Herrmann, H., Hoffmann, T., Iinuma, Y., Jang, M., Jenkin, M. E., Jimenez, J. L., Kiendler-Scharr, A., Maenhaut, W., McFiggans, G., Mentel, Th. F., Monod, A., Prévôt, A. S. H., Seinfeld, J. H., Surratt, J. D., Szmigielski, R., and Wildt, J.: The formation, properties and impact of secondary organic aerosol: current and emerging issues, Atmos. Chem. Phys., 9, 5155–5236, https://doi.org/10.5194/acp-9-5155-2009, 2009. a
Heal, M. R., Harrison, M. A. J., and Neil Cape, J.: Aqueous-phase nitration of phenol by N2O5 and ClNO2, Atmos. Environ., 41, 3515–3520, https://doi.org/10.1016/j.atmosenv.2007.02.003, 2007. a
Heald, C. L., Coe, H., Jimenez, J. L., Weber, R. J., Bahreini, R., Middlebrook, A. M., Russell, L. M., Jolleys, M., Fu, T.-M., Allan, J. D., Bower, K. N., Capes, G., Crosier, J., Morgan, W. T., Robinson, N. H., Williams, P. I., Cubison, M. J., DeCarlo, P. F., and Dunlea, E. J.: Exploring the vertical profile of atmospheric organic aerosol: comparing 17 aircraft field campaigns with a global model, Atmos. Chem. Phys., 11, 12673–12696, https://doi.org/10.5194/acp-11-12673-2011, 2011. a
Hens, K., Novelli, A., Martinez, M., Auld, J., Axinte, R., Bohn, B., Fischer, H., Keronen, P., Kubistin, D., Nölscher, A. C., Oswald, R., Paasonen, P., Petäjä, T., Regelin, E., Sander, R., Sinha, V., Sipilä, M., Taraborrelli, D., Tatum Ernest, C., Williams, J., Lelieveld, J., and Harder, H.: Observation and modelling of HOx radicals in a boreal forest, Atmos. Chem. Phys., 14, 8723–8747, https://doi.org/10.5194/acp-14-8723-2014, 2014. a
Herrmann, H., Schaefer, T., Tilgner, A., Styler, S. A., Weller, C., Teich, M., and Otto, T.: Tropospheric aqueous-phase chemistry: kinetics, mechanisms, and its coupling to a changing gas phase, Chem. Rev., 115, 4259–4334, https://doi.org/10.1021/cr500447k, 2015. a
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. a, b
Hodzic, A., Kasibhatla, P. S., Jo, D. S., Cappa, C. D., Jimenez, J. L., Madronich, S., and Park, R. J.: Rethinking the global secondary organic aerosol (SOA) budget: stronger production, faster removal, shorter lifetime, Atmos. Chem. Phys., 16, 7917–7941, https://doi.org/10.5194/acp-16-7917-2016, 2016. a, b
Hoffmann, Erik, H., Tilgner, A., Wolke, R., Böge, O., Walter, A., and Herrmann, H.: Oxidation of substituted aromatic hydrocarbons in the tropospheric aqueous phase: kinetic mechanism development and modelling, Phys. Chem. Chem. Phys., 20, 10960–10977, https://doi.org/10.1039/C7CP08576A, 2018. a
Hu, W. W., Campuzano-Jost, P., Palm, B. B., Day, D. A., Ortega, A. M., Hayes, P. L., Krechmer, J. E., Chen, Q., Kuwata, M., Liu, Y. J., de Sá, S. S., McKinney, K., Martin, S. T., Hu, M., Budisulistiorini, S. H., Riva, M., Surratt, J. D., St. Clair, J. M., Isaacman-Van Wertz, G., Yee, L. D., Goldstein, A. H., Carbone, S., Brito, J., Artaxo, P., de Gouw, J. A., Koss, A., Wisthaler, A., Mikoviny, T., Karl, T., Kaser, L., Jud, W., Hansel, A., Docherty, K. S., Alexander, M. L., Robinson, N. H., Coe, H., Allan, J. D., Canagaratna, M. R., Paulot, F., and Jimenez, J. L.: Characterization of a real-time tracer for isoprene epoxydiols-derived secondary organic aerosol (IEPOX-SOA) from aerosol mass spectrometer measurements, Atmos. Chem. Phys., 15, 11807–11833, https://doi.org/10.5194/acp-15-11807-2015, 2015. a, b, c, d, e
Jenkin, M., Saunders, S. M., and Pilling, M. J.: The tropospheric degradation of volatile organic compounds: A protocol for mechanism development, Atmos. Environ., 31, 81–104, https://doi.org/10.1016/S1352-2310(96)00105-7, 1997. a, b
Jöckel, P., Tost, H., Pozzer, A., Brühl, C., Buchholz, J., Ganzeveld, L., Hoor, P., Kerkweg, A., Lawrence, M. G., Sander, R., Steil, B., Stiller, G., Tanarhte, M., Taraborrelli, D., van Aardenne, J., and Lelieveld, J.: The atmospheric chemistry general circulation model ECHAM5/MESSy1: consistent simulation of ozone from the surface to the mesosphere, Atmos. Chem. Phys., 6, 5067–5104, https://doi.org/10.5194/acp-6-5067-2006, 2006. a
Jöckel, P., Kerkweg, A., Pozzer, A., Sander, R., Tost, H., Riede, H., Baumgaertner, A., Gromov, S., and Kern, B.: Development cycle 2 of the Modular Earth Submodel System (MESSy2), Geosci. Model Dev., 3, 717–752, https://doi.org/10.5194/gmd-3-717-2010, 2010. a
Jöckel, P., Tost, H., Pozzer, A., Kunze, M., Kirner, O., Brenninkmeijer, C. A. M., Brinkop, S., Cai, D. S., Dyroff, C., Eckstein, J., Frank, F., Garny, H., Gottschaldt, K.-D., Graf, P., Grewe, V., Kerkweg, A., Kern, B., Matthes, S., Mertens, M., Meul, S., Neumaier, M., Nützel, M., Oberländer-Hayn, S., Ruhnke, R., Runde, T., Sander, R., Scharffe, D., and Zahn, A.: Earth System Chemistry integrated Modelling (ESCiMo) with the Modular Earth Submodel System (MESSy) version 2.51, Geosci. Model Dev., 9, 1153–1200, https://doi.org/10.5194/gmd-9-1153-2016, 2016. a
Joo, T., Rivera-Rios, J. C., Takeuchi, M., Alvarado, M. J., and Ng, N. L.: Secondary Organic Aerosol Formation from Reaction of 3-Methylfuran with Nitrate Radicals, ACS Earth and Space Chemistry, 3, 922–934, https://doi.org/10.1021/acsearthspacechem.9b00068, 2019. a
Jülich Supercomputing Centre: JURECA: Data Centric and Booster Modules implementing the Modular Supercomputing Architecture at Jülich Supercomputing Centre, Journal of Large-Scale Research Facilities, 7, A182, https://doi.org/10.17815/jlsrf-7-182, 2021. a
Kampf, C. J., Waxman, E. M., Slowik, J. G., Dommen, J., Pfaffenberger, L., Praplan, A. P., Prévôt, A. S., Baltensperger, U., Hoffmann, T., and Volkamer, R.: Effective Henry’s law partitioning and the salting constant of glyoxal in aerosols containing sulfate, Environ. Sci. Technol., 47, 4236–4244, https://doi.org/10.1021/es400083d, 2013. a
Karl, M., Dorn, H.-P., Holland, F., Koppmann, R., Poppe, D., Rupp, L., Schaub, A., and Wahner, A.: Product study of the reaction of OH radicals with isoprene in the atmosphere simulation chamber SAPHIR, J. Atmos. Chem., 55, 167–187, https://doi.org/10.1007/s10874-006-9034-x, 2006. a
Kerkweg, A., Sander, R., Tost, H., Jöckel, P., and Lelieveld, J.: Technical Note: Simulation of detailed aerosol chemistry on the global scale using MECCA-AERO, Atmos. Chem. Phys., 7, 2973–2985, https://doi.org/10.5194/acp-7-2973-2007, 2007. a
Kwok, E. S. and Atkinson, R.: Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: An update, Atmos. Environ., 29, 1685–1695, https://doi.org/10.1016/1352-2310(95)00069-B, 1995. a
Li, Q., Jiang, J., Afreh, I. K., Barsanti, K. C., and Cocker III, D. R.: Secondary organic aerosol formation from camphene oxidation: measurements and modeling, Atmos. Chem. Phys., 22, 3131–3147, https://doi.org/10.5194/acp-22-3131-2022, 2022. a
Lim, Y. B., Tan, Y., Perri, M. J., Seitzinger, S. P., and Turpin, B. J.: Aqueous chemistry and its role in secondary organic aerosol (SOA) formation, Atmos. Chem. Phys., 10, 10521–10539, https://doi.org/10.5194/acp-10-10521-2010, 2010. a, b, c
Lin, G., Sillman, S., Penner, J. E., and Ito, A.: Global modeling of SOA: the use of different mechanisms for aqueous-phase formation, Atmos. Chem. Phys., 14, 5451–5475, https://doi.org/10.5194/acp-14-5451-2014, 2014. a
Lin, Y.-H., Arashiro, M., Clapp, P. W., Cui, T., Sexton, K. G., Vizuete, W., Gold, A., Jaspers, I., Fry, R. C., and Surratt, J. D.: Gene expression profiling in human lung cells exposed to isoprene-derived secondary organic aerosol, Environ. Sci. Technol., 51, 8166–8175, https://doi.org/10.1021/acs.est.7b01967, 2017. a
Liu, J., D’Ambro, E. L., Lee, B. H., Lopez-Hilfiker, F. D., Zaveri, R. A., Rivera-Rios, J. C., Keutsch, F. N., Iyer, S., Kurten, T., Zhang, Z., Gold, A., Surratt, J. D., Shilling, J. E., and Thornton, J. A.: Efficient isoprene secondary organic aerosol formation from a non-IEPOX pathway, Environ. Sci. Technol., 50, 9872–9880, https://doi.org/10.1021/acs.est.6b01872, 2016. a
Lopez-Hilfiker, F., Mohr, C., D’ambro, E., Lutz, A., Riedel, T., Gaston, C., Iyer, S., Zhang, Z., Gold, A., Surratt, J., Lee, B. H., Kurten, T., Hu, W. W., Jimenez, J., Hallquist, M., and Thornton, J. A.: Molecular composition and volatility of organic aerosol in the Southeastern US: implications for IEPOX derived SOA, Environ. Sci. Technol., 50, 2200–2209, https://doi.org/10.1021/acs.est.5b04769, 2016. a
Mallik, C., Tomsche, L., Bourtsoukidis, E., Crowley, J. N., Derstroff, B., Fischer, H., Hafermann, S., Hüser, I., Javed, U., Keßel, S., Lelieveld, J., Martinez, M., Meusel, H., Novelli, A., Phillips, G. J., Pozzer, A., Reiffs, A., Sander, R., Taraborrelli, D., Sauvage, C., Schuladen, J., Su, H., Williams, J., and Harder, H.: Oxidation processes in the eastern Mediterranean atmosphere: evidence from the modelling of HOx measurements over Cyprus, Atmos. Chem. Phys., 18, 10825–10847, https://doi.org/10.5194/acp-18-10825-2018, 2018. a
Massoli, P., Stark, H., Canagaratna, M. R., Krechmer, J. E., Xu, L., Ng, N. L., Mauldin III, R. L., Yan, C., Kimmel, J., Misztal, P. K., Jimenez, J. L., Jayne, J. T., and Worsnop, D. R.: Ambient measurements of highly oxidized gas-phase molecules during the southern oxidant and aerosol study (SOAS) 2013, ACS Earth and Space Chemistry, 2, 653–672, https://doi.org/10.1021/acsearthspacechem.8b00028, 2018. a
Mayorga, R., Xia, Y., Zhao, Z., Long, B., and Zhang, H.: Peroxy radical autoxidation and sequential oxidation in organic nitrate formation during limonene nighttime oxidation, Environ. Sci. Technol., 56, 15 337–15 346, 2022. a
McDonald, B. C., de Gouw, J. A., Gilman, J. B., Jathar, S. H., Akherati, A., Cappa, C. D., Jimenez, J. L., Lee-Taylor, J., Hayes, P. L., McKeen, S. A., Cui, Y. Y., Kim, S.-W., Gentner, D. R., Isaacman-VanWertz, G., Goldstein, A. H., Harley, R. A., Frost, G. J., Roberts, J. M., Ryerson, T. B., and Trainer, M.: Volatile chemical products emerging as largest petrochemical source of urban organic emissions, Science, 359, 760–764, https://doi.org/10.1126/science.aaq0524, 2018. a
Mekic, M. and Gligorovski, S.: Ionic strength effects on heterogeneous and multiphase chemistry: Clouds versus aerosol particles, Atmos. Environ., 244, 117911, https://doi.org/10.1016/j.atmosenv.2020.117911, 2021. a
Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating henry's law constants, Environ. Toxicol. Chem., 10, 1283–1293, https://doi.org/10.1002/etc.5620101007, 1991. a
Monod, A. and Doussin, J.: Structure-activity relationship for the estimation of OH-oxidation rate constants of aliphatic organic compounds in the aqueous phase: alkanes, alcohols, organic acids and bases, Atmos. Environ., 42, 7611–7622, https://doi.org/10.1016/j.atmosenv.2008.06.005, 2008. a
Mouchel-Vallon, C., Deguillaume, L., Monod, A., Perroux, H., Rose, C., Ghigo, G., Long, Y., Leriche, M., Aumont, B., Patryl, L., Armand, P., and Chaumerliac, N.: CLEPS 1.0: A new protocol for cloud aqueous phase oxidation of VOC mechanisms, Geosci. Model Dev., 10, 1339–1362, https://doi.org/10.5194/gmd-10-1339-2017, 2017. a, b
Nguyen, T. K. V., Petters, M. D., Suda, S. R., Guo, H., Weber, R. J., and Carlton, A. G.: Trends in particle-phase liquid water during the Southern Oxidant and Aerosol Study, Atmos. Chem. Phys., 14, 10911–10930, https://doi.org/10.5194/acp-14-10911-2014, 2014. a, b
Nölscher, A. C., Butler, T., Auld, J., Veres, P., Muñoz, A., Taraborrelli, D., Vereecken, L., Lelieveld, J., and Williams, J.: Using total OH reactivity to assess isoprene photooxidation via measurement and model, Atmos. Environ., 89, 453–463, https://doi.org/10.1016/j.atmosenv.2014.02.024, 2014. a
Novelli, A., Vereecken, L., Bohn, B., Dorn, H.-P., Gkatzelis, G. I., Hofzumahaus, A., Holland, F., Reimer, D., Rohrer, F., Rosanka, S., Taraborrelli, D., Tillmann, R., Wegener, R., Yu, Z., Kiendler-Scharr, A., Wahner, A., and Fuchs, H.: Importance of isomerization reactions for OH radical regeneration from the photo-oxidation of isoprene investigated in the atmospheric simulation chamber SAPHIR, Atmos. Chem. Phys., 20, 3333–3355, https://doi.org/10.5194/acp-20-3333-2020, 2020. a
Octaviani, M., Shrivastava, M., Zaveri, R. A., Zelenyuk, A., Zhang, Y., Rasool, Q. Z., Bell, D. M., Riva, M., Glasius, M., and Surratt, J. D.: Modeling the Size Distribution and Chemical Composition of Secondary Organic Aerosols during the Reactive Uptake of Isoprene-Derived Epoxydiols under Low-Humidity Condition, ACS Earth and Space Chemistry, 5, 3247–3257, https://doi.org/10.1021/acsearthspacechem.1c00303, 2021. a
Pang, J. Y. S., Novelli, A., Kaminski, M., Acir, I.-H., Bohn, B., Carlsson, P. T. M., Cho, C., Dorn, H.-P., Hofzumahaus, A., Li, X., Lutz, A., Nehr, S., Reimer, D., Rohrer, F., Tillmann, R., Wegener, R., Kiendler-Scharr, A., Wahner, A., and Fuchs, H.: Investigation of the limonene photooxidation by OH at different NO concentrations in the atmospheric simulation chamber SAPHIR (Simulation of Atmospheric PHotochemistry In a large Reaction Chamber), Atmos. Chem. Phys., 22, 8497–8527, https://doi.org/10.5194/acp-22-8497-2022, 2022. a, b
Perring, A. E., Pusede, S. E., and Cohen, R. C.: An Observational Perspective on the Atmospheric Impacts of Alkyl and Multifunctional Nitrates on Ozone and Secondary Organic Aerosol, Chem. Rev., 113, 5848–5870, https://doi.org/10.1021/cr300520x, 2013. a
Petters, S. S., Cui, T., Zhang, Z., Gold, A., McNeill, V. F., Surratt, J. D., and Turpin, B. J.: Organosulfates from Dark Aqueous Reactions of Isoprene-Derived Epoxydiols Under Cloud and Fog Conditions: Kinetics, Mechanism, and Effect of Reaction Environment on Regioselectivity of Sulfate Addition, ACS Earth and Space Chemistry, 5, 474–486, https://doi.org/10.1021/acsearthspacechem.0c00293?ref=pdf, 2021. a, b
Pozzer, A., Reifenberg, S. F., Kumar, V., Franco, B., Kohl, M., Taraborrelli, D., Gromov, S., Ehrhart, S., Jöckel, P., Sander, R., Fall, V., Rosanka, S., Karydis, V., Akritidis, D., Emmerichs, T., Crippa, M., Guizzardi, D., Kaiser, J. W., Clarisse, L., Kiendler-Scharr, A., Tost, H., and Tsimpidi, A.: Simulation of organics in the atmosphere: evaluation of EMACv2.54 with the Mainz Organic Mechanism (MOM) coupled to the ORACLE (v1.0) submodel, Geosci. Model Dev., 15, 2673–2710, https://doi.org/10.5194/gmd-15-2673-2022, 2022. a
Pringle, K. J., Tost, H., Message, S., Steil, B., Giannadaki, D., Nenes, A., Fountoukis, C., Stier, P., Vignati, E., and Lelieveld, J.: Description and evaluation of GMXe: a new aerosol submodel for global simulations (v1), Geosci. Model Dev., 3, 391–412, https://doi.org/10.5194/gmd-3-391-2010, 2010. a
Pye, H. O. T., Chan, A. W. H., Barkley, M. P., and Seinfeld, J. H.: Global modeling of organic aerosol: the importance of reactive nitrogen (NOx and NO3), Atmos. Chem. Phys., 10, 11261–11276, https://doi.org/10.5194/acp-10-11261-2010, 2010. a
Raventos-Duran, T., Camredon, M., Valorso, R., Mouchel-Vallon, C., and Aumont, B.: Structure-activity relationships to estimate the effective Henry's law constants of organics of atmospheric interest, Atmos. Chem. Phys., 10, 7643–7654, https://doi.org/10.5194/acp-10-7643-2010, 2010. a, b
Riedel, T. P., Lin, Y.-H., Zhang, Z., Chu, K., Thornton, J. A., Vizuete, W., Gold, A., and Surratt, J. D.: Constraining condensed-phase formation kinetics of secondary organic aerosol components from isoprene epoxydiols, Atmos. Chem. Phys., 16, 1245–1254, https://doi.org/10.5194/acp-16-1245-2016, 2016. a, b
Rohrer, F., Bohn, B., Brauers, T., Brüning, D., Johnen, F.-J., Wahner, A., and Kleffmann, J.: Characterisation of the photolytic HONO-source in the atmosphere simulation chamber SAPHIR, Atmos. Chem. Phys., 5, 2189–2201, https://doi.org/10.5194/acp-5-2189-2005, 2005. a
Rosanka, S., Sander, R., Wahner, A., and Taraborrelli, D.: Oxidation of low-molecular-weight organic compounds in cloud droplets: development of the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) in CAABA/MECCA (version 4.5.0), Geosci. Model Dev., 14, 4103–4115, https://doi.org/10.5194/gmd-14-4103-2021, 2021. a, b, c
Rosanka, S., Tost, H., Sander, R., Jöckel, P., Kerkweg, A., and Taraborrelli, D.: How non-equilibrium aerosol chemistry impacts particle acidity: the GMXe AERosol CHEMistry (GMXe–AERCHEM, v1.0) sub-submodel of MESSy, Geosci. Model Dev., 17, 2597–2615, https://doi.org/10.5194/gmd-17-2597-2024, 2024. a
Ryder, O. S., Campbell, N. R., Shaloski, M., Al-Mashat, H., Nathanson, G. M., and Bertram, T. H.: Role of Organics in Regulating ClNO2 Production at the Air–Sea Interface, J. Phys. Chem. A, 119, 8519–8526, https://doi.org/10.1021/jp5129673, 2015. a
Sanchez, D., Jeong, D., Seco, R., Wrangham, I., Park, J.-H., Brune, W. H., Koss, A., Gilman, J., de Gouw, J., Misztal, P., Goldstein, A., Baumann, K., Wennberg, P. O., Keutsch, F. N., Guenther, A., and Kim, S.: Intercomparison of OH and OH reactivity measurements in a high isoprene and low NO environment during the Southern Oxidant and Aerosol Study (SOAS), Atmos. Environ., 174, 227–236, https://doi.org/10.1016/j.atmosenv.2017.10.056, 2018. a
Sander, R.: Compilation of Henry's law constants (version 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901–12440, https://doi.org/10.5194/acp-23-10901-2023, 2023. a, b, c, d
Sander, R., Kerkweg, A., Jöckel, P., and Lelieveld, J.: Technical note: The new comprehensive atmospheric chemistry module MECCA, Atmos. Chem. Phys., 5, 445–450, https://doi.org/10.5194/acp-5-445-2005, 2005. a
Sander, R., Baumgaertner, A., Gromov, S., Harder, H., Jöckel, P., Kerkweg, A., Kubistin, D., Regelin, E., Riede, H., Sandu, A., Taraborrelli, D., Tost, H., and Xie, Z.-Q.: The atmospheric chemistry box model CAABA/MECCA-3.0, Geosci. Model Dev., 4, 373–380, https://doi.org/10.5194/gmd-4-373-2011, 2011. a
Sander, R., Jöckel, P., Kirner, O., Kunert, A. T., Landgraf, J., and Pozzer, A.: The photolysis module JVAL-14, compatible with the MESSy standard, and the JVal PreProcessor (JVPP), Geosci. Model Dev., 7, 2653–2662, https://doi.org/10.5194/gmd-7-2653-2014, 2014. a
Sander, R., Baumgaertner, A., Cabrera-Perez, D., Frank, F., Gromov, S., Grooß, J.-U., Harder, H., Huijnen, V., Jöckel, P., Karydis, V. A., Niemeyer, K. E., Pozzer, A., Riede, H., Schultz, M. G., Taraborrelli, D., and Tauer, S.: The community atmospheric chemistry box model CAABA/MECCA-4.0, Geosci. Model Dev., 12, 1365–1385, https://doi.org/10.5194/gmd-12-1365-2019, 2019. a, b, c, d, e
Sareen, N., Carlton, A. G., Surratt, J. D., Gold, A., Lee, B., Lopez-Hilfiker, F. D., Mohr, C., Thornton, J. A., Zhang, Z., Lim, Y. B., and Turpin, B. J.: Identifying precursors and aqueous organic aerosol formation pathways during the SOAS campaign, Atmos. Chem. Phys., 16, 14409–14420, https://doi.org/10.5194/acp-16-14409-2016, 2016. a
Schervish, M. and Donahue, N. M.: Peroxy radical chemistry and the volatility basis set, Atmos. Chem. Phys., 20, 1183–1199, https://doi.org/10.5194/acp-20-1183-2020, 2020. a
Schervish, M. and Donahue, N. M.: Peroxy radical kinetics and new particle formation, Environmental Science: Atmospheres, 1, 79–92, 2021. a
Schlosser, E., Bohn, B., Brauers, T., Dorn, H.-P., Fuchs, H., Häseler, R., Hofzumahaus, A., Holland, F., Rohrer, F., Rupp, L. O., Siese, M., Tillmann, R., and Wahner, A.: Intercomparison of two hydroxyl radical measurement techniques at the atmosphere simulation chamber SAPHIR, J. Atmos. Chem., 56, 187–205, https://doi.org/10.1007/s10874-006-9049-3, 2007. a
Seinfeld, J. H. and Pandis, S. N.: Atmospheric chemistry and physics: from air pollution to climate change, John Wiley & Sons, ISBN 9781119221173, 2016. a
Shrivastava, M., Cappa, C. D., Fan, J., Goldstein, A. H., Guenther, A. B., Jimenez, J. L., Kuang, C., Laskin, A., Martin, S. T., Ng, N. L., Petaja, T., Pierce, J. R., Rasch, P. J., Roldin, P., Seinfeld, J. H., Shilling, J., Smith, J. N., Thornton, J. A., Volkamer, R., Wang, J., Worsnop, D. R., Zaveri, R. A., Zelenyuk, A., and Zhang, Q.: Recent advances in understanding secondary organic aerosol: Implications for global climate forcing, Rev. Geophys., 55, 509–559, https://doi.org/10.1002/2016RG000540, 2017. a
Sivaramakrishnan, R. and Michael, J.: Rate constants for OH with selected large alkanes: shock-tube measurements and an improved group scheme, J. Phys. Chem. A, 113, 5047–5060, https://doi.org/10.1021/jp810987u, 2009. a
Soni, M., Sander, R., Sahu, L. K., Taraborrelli, D., Liu, P., Patel, A., Girach, I. A., Pozzer, A., Gunthe, S. S., and Ojha, N.: Comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA: implications for atmospheric oxidative capacity, Atmos. Chem. Phys., 23, 15165–15180, https://doi.org/10.5194/acp-23-15165-2023, 2023. a
Staudinger, J. and Roberts, P. V.: A critical compilation of Henry's law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561–576, https://doi.org/10.1016/S0045-6535(00)00505-1, 2001. a
Staudt, S., Gord, J. R., Karimova, N. V., McDuffie, E. E., Brown, S. S., Gerber, R. B., Nathanson, G. M., and Bertram, T. H.: Sulfate and Carboxylate Suppress the Formation of ClNO2 at Atmospheric Interfaces, ACS Earth and Space Chemistry, 3, 1987–1997, https://doi.org/10.1021/acsearthspacechem.9b00177, 2019. a
St. Clair, J. M., Rivera-Rios, J. C., Crounse, J. D., Knap, H. C., Bates, K. H., Teng, A. P., Jørgensen, S., Kjaergaard, H. G., Keutsch, F. N., and Wennberg, P. O.: Kinetics and products of the reaction of the first-generation isoprene hydroxy hydroperoxide (ISOPOOH) with OH, J. Phys. Chem. A, 120, 1441–1451, https://doi.org/10.1021/acs.jpca.5b06532, 2016. a, b
Subramani, M., Saravanan, V., Theerthagiri, J., Subramaniam, V., Pazhanivel, T., Ramasamy, S., and Manickam, S.: Kinetics and degradation of camphene with OH radicals and its subsequent fate under the atmospheric O2 and NO radicals – A theoretical study, Chemosphere, 267, 129250, https://doi.org/10.1016/j.chemosphere.2020.129250, 2021. a
Taraborrelli, D., Lawrence, M. G., Crowley, J. N., Dillon, T. J., Gromov, S., Groß, C. B. M., Vereecken, L., and Lelieveld, J.: Hydroxyl radical buffered by isoprene oxidation over tropical forests, Nat. Geosci., 5, 190–193, https://doi.org/10.1038/ngeo1405, 2012. a
Taraborrelli, D., Cabrera-Perez, D., Bacer, S., Gromov, S., Lelieveld, J., Sander, R., and Pozzer, A.: Influence of aromatics on tropospheric gas-phase composition, Atmos. Chem. Phys., 21, 2615–2636, https://doi.org/10.5194/acp-21-2615-2021, 2021. a, b
Teng, A. P., Crounse, J. D., Lee, L., St. Clair, J. M., Cohen, R. C., and Wennberg, P. O.: Hydroxy nitrate production in the OH-initiated oxidation of alkenes, Atmos. Chem. Phys., 15, 4297–4316, https://doi.org/10.5194/acp-15-4297-2015, 2015. a
Tilmes, S., Hodzic, A., Emmons, L., Mills, M., Gettelman, A., Kinnison, D. E., Park, M., Lamarque, J.-F., Vitt, F., Shrivastava, M., Campuzano-Jost, P., Jimenez, J. L., and Liu, X.: Climate forcing and trends of organic aerosols in the Community Earth System Model (CESM2), J. Adv. Model. Earth Sy., 11, 4323–4351, https://doi.org/10.1029/2019MS001827, 2019. a
Tost, H., Jöckel, P., Kerkweg, A., Sander, R., and Lelieveld, J.: Technical note: A new comprehensive SCAVenging submodel for global atmospheric chemistry modelling, Atmos. Chem. Phys., 6, 565–574, https://doi.org/10.5194/acp-6-565-2006, 2006. a, b
Tsimpidi, A. P., Karydis, V. A., Pozzer, A., Pandis, S. N., and Lelieveld, J.: ORACLE (v1.0): module to simulate the organic aerosol composition and evolution in the atmosphere, Geosci. Model Dev., 7, 3153–3172, https://doi.org/10.5194/gmd-7-3153-2014, 2014. a
US-EPA: Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11, united States Environmental Protection Agency, Washington, DC, USA [software], https://www.epa.gov/tsca-screening-tools/download-epi-suitetm-estimation-program-interface-v411 (last access: 15 May 2024), 2012. a
Vasquez, K. T., Crounse, J. D., Schulze, B. C., Bates, K. H., Teng, A. P., Xu, L., Allen, H. M., and Wennberg, P. O.: Rapid hydrolysis of tertiary isoprene nitrate efficiently removes NOx from the atmosphere, P. Natl. Acad. Sci. USA, 117, 33011–33016, https://doi.org/10.1073/pnas.2017442117, 2020. a
Vereecken, L.: Reaction mechanisms for the atmospheric oxidation of monocyclic aromatic compounds, in: Advances in Atmospheric Chemistry: Volume 2: Organic Oxidation and Multiphase Chemistry, World Scientific, 377–527, https://doi.org/10.1142/9789813271838_0006, 2019. a
Vereecken, L. and Nozière, B.: H migration in peroxy radicals under atmospheric conditions, Atmos. Chem. Phys., 20, 7429–7458, https://doi.org/10.5194/acp-20-7429-2020, 2020. a
Vereecken, L. and Peeters, J.: A theoretical study of the OH-initiated gas-phase oxidation mechanism of β-pinene (C10H16): first generation products, Phys. Chem. Chem. Phys., 14, 3802–3815, https://doi.org/10.1039/c2cp23711c, 2012. a, b, c, d
Vereecken, L., Carlsson, P., Novelli, A., Bernard, F., Brown, S., Cho, C., Crowley, J., Fuchs, H., Mellouki, W., Reimer, D., Shenolikar, J., Tillmann, R., Zhou, L., Kiendler-Scharr, A., and Wahner, A.: Theoretical and experimental study of peroxy and alkoxy radicals in the NO3-initiated oxidation of isoprene, Phys. Chem. Chem. Phys., 23, 5496–5515, https://doi.org/10.1039/D0CP06267G, 2021. a, b, c, d, e, f, g, h, i, j, k, l
Wang, C., Yuan, T., Wood, S. A., Goss, K.-U., Li, J., Ying, Q., and Wania, F.: Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products, Atmos. Chem. Phys., 17, 7529–7540, https://doi.org/10.5194/acp-17-7529-2017, 2017. a
Wang, L., Wu, R., and Xu, C.: Atmospheric oxidation mechanism of benzene. Fates of alkoxy radical intermediates and revised mechanism, J. Phys. Chem. A, 117, 14163–14168, https://doi.org/10.1021/jp4101762, 2013. a
Wennberg, P. O., Bates, K. H., Crounse, J. D., Dodson, L. G., McVay, R. C., Mertens, L. A., Nguyen, T. B., Praske, E., Schwantes, R. H., Smarte, M. D., St Clair, J. M., Teng, A. P., Zhang, X., and Seinfeld, J. H.: Gas-phase reactions of isoprene and its major oxidation products, Chem. Rev., 118, 3337–3390, https://doi.org/10.1021/acs.chemrev.7b00439, 2018. a
Wieser, F.: CAABA/MECCA – SOA update – archive, Zenodo [code], https://doi.org/10.5281/zenodo.10848424, 2024. a
Wieser, F., Sander, R., and Taraborrelli, D.: Model output from CAABA/MECCA study “Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.7.0)” (1.0), Zenodo [data set], https://doi.org/10.5281/zenodo.8112710, 2023. a
Wu, R., Pan, S., Li, Y., and Wang, L.: Atmospheric oxidation mechanism of toluene, J. Phys. Chem. A, 118, 4533–4547, 2014. a
Wu, X., Huang, C., Chai, J., and Zhang, F.: Formation of Substituted Alkyls as Precursors of Peroxy Radicals with a Rapid H-Shift in the Atmosphere, J. Phys. Chem. Lett., 12, 8790–8797, https://doi.org/10.1021/acs.jpclett.1c02503, 2021. a
Xu, J., Griffin, R. J., Liu, Y., Nakao, S., and Cocker III, D. R.: Simulated impact of NOx on SOA formation from oxidation of toluene and m-xylene, Atmos. Environ., 101, 217–225, https://doi.org/10.1016/j.atmosenv.2014.11.008, 2015. a
Xu, L., Suresh, S., Guo, H., Weber, R. J., and Ng, N. L.: Aerosol characterization over the southeastern United States using high-resolution aerosol mass spectrometry: spatial and seasonal variation of aerosol composition and sources with a focus on organic nitrates, Atmos. Chem. Phys., 15, 7307–7336, https://doi.org/10.5194/acp-15-7307-2015, 2015. a, b
Xu, L., Møller, K. H., Crounse, J. D., Kjaergaard, H. G., and Wennberg, P. O.: New insights into the radical chemistry and product distribution in the OH-initiated oxidation of benzene, Environ. Sci. Technol., 54, 13467–13477, https://doi.org/10.1021/acs.est.0c04780, 2020. a, b
You, Y., Kanawade, V. P., de Gouw, J. A., Guenther, A. B., Madronich, S., Sierra-Hernández, M. R., Lawler, M., Smith, J. N., Takahama, S., Ruggeri, G., Koss, A., Olson, K., Baumann, K., Weber, R. J., Nenes, A., Guo, H., Edgerton, E. S., Porcelli, L., Brune, W. H., Goldstein, A. H., and Lee, S.-H.: Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS), Atmos. Chem. Phys., 14, 12181–12194, https://doi.org/10.5194/acp-14-12181-2014, 2014. a
Zaytsev, A., Koss, A. R., Breitenlechner, M., Krechmer, J. E., Nihill, K. J., Lim, C. Y., Rowe, J. C., Cox, J. L., Moss, J., Roscioli, J. R., Canagaratna, M. R., Worsnop, D. R., Kroll, J. H., and Keutsch, F. N.: Mechanistic study of the formation of ring-retaining and ring-opening products from the oxidation of aromatic compounds under urban atmospheric conditions, Atmos. Chem. Phys., 19, 15117–15129, https://doi.org/10.5194/acp-19-15117-2019, 2019. a
Zhang, Y., Chen, Y., Lambe, A. T., Olson, N. E., Lei, Z., Craig, R. L., Zhang, Z., Gold, A., Onasch, T. B., Jayne, J. T., Worsnop, D. R., Gaston, C. J., Thornton, J. A., Vizuete, W., Ault, A. P., and Surratt, J. D.: Effect of the Aerosol-Phase State on Secondary Organic Aerosol Formation from the Reactive Uptake of Isoprene-Derived Epoxydiols (IEPOX), Environ. Sci. Tech. Let., 5, 167–174, https://doi.org/10.1021/acs.estlett.8b00044, 2018. a
Zhong, M. and Jang, M.: Light absorption coefficient measurement of SOA using a UV–Visible spectrometer connected with an integrating sphere, Atmos. Environ., 45, 4263–4271, https://doi.org/10.1016/j.atmosenv.2011.04.082, 2011. a
Zhu, J., Penner, J. E., Lin, G., Zhou, C., Xu, L., and Zhuang, B.: Mechanism of SOA formation determines magnitude of radiative effects, P. Natl. Acad. Sci. USA, 114, 12685–12690, https://doi.org/10.1073/pnas.1712273114, 2017. a
Short summary
The chemistry scheme of the atmospheric box model CAABA/MECCA is expanded to achieve an improved aerosol formation from emitted organic compounds. In addition to newly added reactions, temperature-dependent partitioning of all new species between the gas and aqueous phases is estimated and included in the pre-existing scheme. Sensitivity runs show an overestimation of key compounds from isoprene, which can be explained by a lack of aqueous-phase degradation reactions and box model limitations.
The chemistry scheme of the atmospheric box model CAABA/MECCA is expanded to achieve an improved...
