Articles | Volume 14, issue 6
https://doi.org/10.5194/gmd-14-4103-2021
© Author(s) 2021. 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-14-4103-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Development and technical paper
| 
01 Jul 2021
Development and technical paper |
| 01 Jul 2021
| 01 Jul 2021
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)
Institute of Energy and Climate Research: Troposphere (IEK-8), Forschungszentrum Jülich GmbH, Jülich, Germany
Rolf Sander
Atmospheric Chemistry Department, Max Planck Institute for Chemistry, Mainz, Germany
Andreas Wahner
Institute of Energy and Climate Research: Troposphere (IEK-8), Forschungszentrum Jülich GmbH, Jülich, Germany
Domenico Taraborrelli
Institute of Energy and Climate Research: Troposphere (IEK-8), Forschungszentrum Jülich GmbH, Jülich, Germany
Related authors
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
Preprint under review 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.
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.
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.
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.
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.
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, 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.
Christine Frömming, Volker Grewe, Sabine Brinkop, Patrick Jöckel, Amund S. Haslerud, Simon Rosanka, Jesper van Manen, and Sigrun Matthes
Atmos. Chem. Phys., 21, 9151–9172, https://doi.org/10.5194/acp-21-9151-2021, https://doi.org/10.5194/acp-21-9151-2021, 2021
Short summary
Short summary
The influence of weather situations on non-CO2 aviation climate impact is investigated to identify systematic weather-related sensitivities. If aircraft avoid the most sensitive areas, climate impact might be reduced. Enhanced significance is found for emission in relation to high-pressure systems, jet stream, polar night, and tropopause altitude. The results represent a comprehensive data set for studies aiming at weather-dependent flight trajectory optimization to reduce total climate impact.
Simon Rosanka, Christine Frömming, and Volker Grewe
Atmos. Chem. Phys., 20, 12347–12361, https://doi.org/10.5194/acp-20-12347-2020, https://doi.org/10.5194/acp-20-12347-2020, 2020
Short summary
Short summary
Aviation-attributed nitrogen oxide (NOx) emissions lead to an increase in ozone and a depletion of methane. We investigate the impact of weather-related transport processes on these induced composition changes. Subsidence in high-pressure systems leads to earlier ozone maxima due to an enhanced chemical activity. Background NOx and hydroperoxyl radicals limit the total ozone change during summer and winter, respectively. High water vapour concentrations lead to a high methane depletion.
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.
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.
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
Preprint under review 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.
Michael Rolletter, Andreas Hofzumahaus, Anna Novelli, Andreas Wahner, and Hendrik Fuchs
EGUsphere, https://doi.org/10.5194/egusphere-2024-3550, https://doi.org/10.5194/egusphere-2024-3550, 2024
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.
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
EGUsphere, https://doi.org/10.5194/egusphere-2024-3437, https://doi.org/10.5194/egusphere-2024-3437, 2024
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 e.g. alkyl nitrates and peroxy nitrates.
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.
Kuo-Ying Wang, Philippe Nedelec, Valerie Thouret, Hannah Clark, Andreas Wahner, and Andreas Petzold
EGUsphere, https://doi.org/10.5194/egusphere-2024-2414, https://doi.org/10.5194/egusphere-2024-2414, 2024
Short summary
Short summary
We use routine in-service commercial passenger airplanes Airbus A340 and A330 to collect air pollutants in the upper troposphere. The beauty in using commercial airplanes is that these commercial airplanes, like taxi on the ground, keep flying all the time. We find that short-lived air pollutants are very sensitive to ground-level emissions. Effective regulation in ground-level emissions can help to reduce air pollution in the upper troposphere.
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.
Felix Wieser, Rolf Sander, Changmin Cho, Hendrik Fuchs, Thorsten Hohaus, Anna Novelli, Ralf Tillmann, and Domenico Taraborrelli
Geosci. Model Dev., 17, 4311–4330, https://doi.org/10.5194/gmd-17-4311-2024, https://doi.org/10.5194/gmd-17-4311-2024, 2024
Short summary
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.
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.
Rongrong Wu, Sören R. Zorn, Sungah Kang, Astrid Kiendler-Scharr, Andreas Wahner, and Thomas F. Mentel
Atmos. Meas. Tech., 17, 1811–1835, https://doi.org/10.5194/amt-17-1811-2024, https://doi.org/10.5194/amt-17-1811-2024, 2024
Short summary
Short summary
Recent advances in high-resolution time-of-flight chemical ionization mass spectrometry (CIMS) enable the detection of highly oxygenated organic molecules, which efficiently contribute to secondary organic aerosol. Here we present an application of fuzzy c-means (FCM) clustering to deconvolve CIMS data. FCM not only reduces the complexity of mass spectrometric data but also the chemical and kinetic information retrieved by clustering gives insights into the chemical processes involved.
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.
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.
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.
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.
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, 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.
Christine Frömming, Volker Grewe, Sabine Brinkop, Patrick Jöckel, Amund S. Haslerud, Simon Rosanka, Jesper van Manen, and Sigrun Matthes
Atmos. Chem. Phys., 21, 9151–9172, https://doi.org/10.5194/acp-21-9151-2021, https://doi.org/10.5194/acp-21-9151-2021, 2021
Short summary
Short summary
The influence of weather situations on non-CO2 aviation climate impact is investigated to identify systematic weather-related sensitivities. If aircraft avoid the most sensitive areas, climate impact might be reduced. Enhanced significance is found for emission in relation to high-pressure systems, jet stream, polar night, and tropopause altitude. The results represent a comprehensive data set for studies aiming at weather-dependent flight trajectory optimization to reduce total climate impact.
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.
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.
Simon Rosanka, Christine Frömming, and Volker Grewe
Atmos. Chem. Phys., 20, 12347–12361, https://doi.org/10.5194/acp-20-12347-2020, https://doi.org/10.5194/acp-20-12347-2020, 2020
Short summary
Short summary
Aviation-attributed nitrogen oxide (NOx) emissions lead to an increase in ozone and a depletion of methane. We investigate the impact of weather-related transport processes on these induced composition changes. Subsidence in high-pressure systems leads to earlier ozone maxima due to an enhanced chemical activity. Background NOx and hydroperoxyl radicals limit the total ozone change during summer and winter, respectively. High water vapour concentrations lead to a high methane depletion.
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.
Andreas Petzold, Patrick Neis, Mihal Rütimann, Susanne Rohs, Florian Berkes, Herman G. J. Smit, Martina Krämer, Nicole Spelten, Peter Spichtinger, Philippe Nédélec, and Andreas Wahner
Atmos. Chem. Phys., 20, 8157–8179, https://doi.org/10.5194/acp-20-8157-2020, https://doi.org/10.5194/acp-20-8157-2020, 2020
Short summary
Short summary
The first analysis of 15 years of global-scale water vapour and relative humidity observations by passenger aircraft in the MOZAIC and IAGOS programmes resolves detailed features of water vapour and ice-supersaturated air in the mid-latitude tropopause. Key results provide in-depth insight into seasonal and regional variability and chemical signatures of ice-supersaturated air masses, including trend analyses, and show a close link to cirrus clouds and their highly important effects on climate.
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.
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.
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.
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.
Florian Berkes, Norbert Houben, Ulrich Bundke, Harald Franke, Hans-Werner Pätz, Franz Rohrer, Andreas Wahner, and Andreas Petzold
Atmos. Meas. Tech., 11, 3737–3757, https://doi.org/10.5194/amt-11-3737-2018, https://doi.org/10.5194/amt-11-3737-2018, 2018
Short summary
Short summary
The need for in situ nitrogen oxide measurements on a global scale is crucial to improve the chemistry in global chemistry models and evaluate satellite retrievals. Here we present the characterization of the new IAGOS NOx instrument installed on passenger aircraft, which will provide statistical robust measurements from the surface up to 13 km.
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.
Mingjin Wang, Tong Zhu, Defeng Zhao, Florian Rubach, Andreas Wahner, Astrid Kiendler-Scharr, and Thomas F. Mentel
Atmos. Chem. Phys., 18, 7345–7359, https://doi.org/10.5194/acp-18-7345-2018, https://doi.org/10.5194/acp-18-7345-2018, 2018
Short summary
Short summary
Organic coatings modify hygroscopicity and CCN activation of mineral dust perticles. Small amounts of oleic acid coating (volume fraction (vf) ≤ 4.1 %) decreased the CCN activity of CaCO3 particles, while more oleic acid coating (vf ≥ 14.8 %) increased the CCN activity of CaCO3 particles, while malonic acid coating (vf = 0.4−42 %) even in smallest amounts increased the CCN activity of CaCO3 particles. Our laboratory results should also hold under conditions of the atmosphere.
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.
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.
Florian Berkes, Patrick Neis, Martin G. Schultz, Ulrich Bundke, Susanne Rohs, Herman G. J. Smit, Andreas Wahner, Paul Konopka, Damien Boulanger, Philippe Nédélec, Valerie Thouret, and Andreas Petzold
Atmos. Chem. Phys., 17, 12495–12508, https://doi.org/10.5194/acp-17-12495-2017, https://doi.org/10.5194/acp-17-12495-2017, 2017
Short summary
Short summary
This study highlights the importance of independent global measurements with high and long-term accuracy to quantify long-term changes, especially in the UTLS region, and to help identify inconsistencies between different data sets of observations and models. Here we investigated temperature trends over different regions within a climate-sensitive area of the atmosphere and demonstrated the value of the IAGOS temperature observations as an anchor point for the evaluation of reanalyses.
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.
Cheng Wu, Iida Pullinen, Stefanie Andres, Astrid Kiendler-Scharr, Einhard Kleist, Andreas Wahner, Jürgen Wildt, and Thomas F. Mentel
Biogeosciences Discuss., https://doi.org/10.5194/bg-2017-260, https://doi.org/10.5194/bg-2017-260, 2017
Manuscript not accepted for further review
Short summary
Short summary
Biogenic volatile organic compounds are important for atmospheric chemistry. We showed by 13CO2 labelling experiments that biosynthesis is not restricted to the presence of light. In particular sesquiterpenes exhibit substantial de novo emissions in darkness with the carbon being delivered from alternative carbon sources. Our findings are of importance for future emissions under conditions of climate change as the response of de novo emissions to stresses differs from that of pool emissions.
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.
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.
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.
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.
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.
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
T. F. Mentel, M. Springer, M. Ehn, E. Kleist, I. Pullinen, T. Kurtén, M. Rissanen, A. Wahner, and J. Wildt
Atmos. Chem. Phys., 15, 6745–6765, https://doi.org/10.5194/acp-15-6745-2015, https://doi.org/10.5194/acp-15-6745-2015, 2015
Short summary
Short summary
We studied a series of cycloalkenes and methyl-substituted alkenes in order to elucidate the structural pre-requisites and chemical pathways to the recently discovered class of highly oxidized molecules ELVOC (Ehn et al., Nature, 2014). ELVOC may totally change the view on (parts of) the mechanism of SOA formation. We present results which support recent observations of H shifts from C-H to peroxy radicals, highlighting the pivotal role of peroxyradicals in organic atmospheric chemistry.
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
C. Wu, I. Pullinen, S. Andres, G. Carriero, S. Fares, H. Goldbach, L. Hacker, T. Kasal, A. Kiendler-Scharr, E. Kleist, E. Paoletti, A. Wahner, J. Wildt, and Th. F. Mentel
Biogeosciences, 12, 177–191, https://doi.org/10.5194/bg-12-177-2015, https://doi.org/10.5194/bg-12-177-2015, 2015
Short summary
Short summary
Impacts of soil moisture on de novo monoterpene emissions from several tree species were studied. Mild drought slightly increased MT emissions, but with further progressing drought the emissions decreased to almost zero. Increases of MT emissions were explainable by increases of leaf temperature due to lowered transpirational cooling. The decrease of emissions observed when soil moisture fell below certain thresholds was parameterized, allowing considering impacts of soil moisture in models.
H. G. J. Smit, S. Rohs, P. Neis, D. Boulanger, M. Krämer, A. Wahner, and A. Petzold
Atmos. Chem. Phys., 14, 13241–13255, https://doi.org/10.5194/acp-14-13241-2014, https://doi.org/10.5194/acp-14-13241-2014, 2014
Short summary
Short summary
Long-term water vapour measurements from the MOZAIC programme are a unique source for upper troposphere humidity data. However, due to an error in the calibration procedure, RH data from MOZAIC were biased towards higher values for the period starting in year 2000. Here we report the procedures followed to reanalyse the calibrations and to reprocess the entire MOZAIC RH data. This study serves as the reference publication for the reanalysed MOZAIC RH data base for the period 1994 to 2009.
X. Li, F. Rohrer, T. Brauers, A. Hofzumahaus, K. Lu, M. Shao, Y. H. Zhang, and A. Wahner
Atmos. Chem. Phys., 14, 12291–12305, https://doi.org/10.5194/acp-14-12291-2014, https://doi.org/10.5194/acp-14-12291-2014, 2014
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
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
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
R. M. Varma, S. M. Ball, T. Brauers, H.-P. Dorn, U. Heitmann, R. L. Jones, U. Platt, D. Pöhler, A. A. Ruth, A. J. L. Shillings, J. Thieser, A. Wahner, and D. S. Venables
Atmos. Meas. Tech., 6, 3115–3130, https://doi.org/10.5194/amt-6-3115-2013, https://doi.org/10.5194/amt-6-3115-2013, 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
Y. P. Li, H. Elbern, K. D. Lu, E. Friese, A. Kiendler-Scharr, Th. F. Mentel, X. S. Wang, A. Wahner, and Y. H. Zhang
Atmos. Chem. Phys., 13, 6289–6304, https://doi.org/10.5194/acp-13-6289-2013, https://doi.org/10.5194/acp-13-6289-2013, 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
Related subject area
Atmospheric sciences
The MESSy DWARF (based on MESSy v2.55.2)
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
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
Quantifying uncertainties in satellite NO2 superobservations for data assimilation and model evaluation
ML-AMPSIT: Machine Learning-based Automated Multi-method Parameter Sensitivity and Importance analysis Tool
Coupling the urban canopy model TEB (SURFEXv9.0) with the radiation model SPARTACUS-Urbanv0.6.1 for more realistic urban radiative exchange calculation
Forecasting contrail climate forcing for flight planning and air traffic management applications: the CocipGrid model in pycontrails 0.51.0
Simulation of the heat mitigation potential of unsealing measures in cities by parameterizing grass grid pavers for urban microclimate modelling with ENVI-met (V5)
AI-NAOS: an AI-based nonspherical aerosol optical scheme for the chemical weather model GRAPES_Meso5.1/CUACE
Orbital-Radar v1.0.0: a tool to transform suborbital radar observations to synthetic EarthCARE cloud radar data
The Modular and Integrated Data Assimilation System at Environment and Climate Change Canada (MIDAS v3.9.1)
Modeling of polycyclic aromatic hydrocarbons (PAHs) from global to regional scales: model development (IAP-AACM_PAH v1.0) and investigation of health risks in 2013 and 2018 in China
LIMA (v2.0): A full two-moment cloud microphysical scheme for the mesoscale non-hydrostatic model Meso-NH v5-6
SLUCM+BEM (v1.0): a simple parameterisation for dynamic anthropogenic heat and electricity consumption in WRF-Urban (v4.3.2)
NAQPMS-PDAF v2.0: a novel hybrid nonlinear data assimilation system for improved simulation of PM2.5 chemical components
Source-specific bias correction of US background and anthropogenic ozone modeled in CMAQ
Observational operator for fair model evaluation with ground NO2 measurements
Valid time shifting ensemble Kalman filter (VTS-EnKF) for dust storm forecasting
An updated parameterization of the unstable atmospheric surface layer in the Weather Research and Forecasting (WRF) modeling system
The impact of cloud microphysics and ice nucleation on Southern Ocean clouds assessed with single-column modeling and instrument simulators
An updated aerosol simulation in the Community Earth System Model (v2.1.3): dust and marine aerosol emissions and secondary organic aerosol formation
Exploring ship track spreading rates with a physics-informed Langevin particle parameterization
Do data-driven models beat numerical models in forecasting weather extremes? A comparison of IFS HRES, Pangu-Weather, and GraphCast
Development of the MPAS-CMAQ coupled system (V1.0) for multiscale global air quality modeling
Assessment of object-based indices to identify convective organization
The Global Forest Fire Emissions Prediction System version 1.0
Sensitivity Studies of Four‐Dimensional Local Ensemble Transform Kalman Filter Coupled With WRF-Chem Version 3.9.1 for Improving Particulate Matter Simulation Accuracy
Development of A Fast Radiative Transfer Model for Ground-based Microwave Radiometers (ARMS-gb v1.0): Validation and Comparison to RTTOV-gb
NEIVAv1.0: Next-generation Emissions InVentory expansion of Akagi et al. (2011) version 1.0
FLEXPART version 11: improved accuracy, efficiency, and flexibility
Challenges of high-fidelity air quality modeling in urban environments – PALM sensitivity study during stable conditions
Knowledge-inspired fusion strategies for the inference of PM2.5 values with a Neural Network
Air quality modeling intercomparison and multiscale ensemble chain for Latin America
Recommended coupling to global meteorological fields for long-term tracer simulations with WRF-GHG
Estimation of aerosol and cloud radiative heating rate in tropical stratosphere using radiative kernel method
Selecting CMIP6 global climate models (GCMs) for Coordinated Regional Climate Downscaling Experiment (CORDEX) dynamical downscaling over Southeast Asia using a standardised benchmarking framework
Improved definition of prior uncertainties in CO2 and CO fossil fuel fluxes and its impact on multi-species inversion with GEOS-Chem (v12.5)
RASCAL v1.0: an open-source tool for climatological time series reconstruction and extension
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
Introducing graupel density prediction in Weather Research and Forecasting (WRF) double-moment 6-class (WDM6) microphysics and evaluation of the modified scheme during the ICE-POP field campaign
Enabling high-performance cloud computing for the Community Multiscale Air Quality Model (CMAQ) version 5.3.3: performance evaluation and benefits for the user community
Atmospheric-river-induced precipitation in California as simulated by the regionally refined Simple Convective Resolving E3SM Atmosphere Model (SCREAM) Version 0
Recent improvements and maximum covariance analysis of aerosol and cloud properties in the EC-Earth3-AerChem model
GPU-HADVPPM4HIP V1.0: using the heterogeneous-compute interface for portability (HIP) to speed up the piecewise parabolic method in the CAMx (v6.10) air quality model on China's domestic GPU-like accelerator
Preliminary evaluation of the effect of electro-coalescence with conducting sphere approximation on the formation of warm cumulus clouds using SCALE-SDM version 0.2.5–2.3.0
Similarity-Based Analysis of Atmospheric Organic Compounds for Machine Learning Applications
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.
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.
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.
Pieter Rijsdijk, Henk Eskes, Arlene Dingemans, K. Folkert Boersma, Takashi Sekiya, Kazuyuki Miyazaki, and Sander Houweling
Geosci. Model Dev., 18, 483–509, https://doi.org/10.5194/gmd-18-483-2025, https://doi.org/10.5194/gmd-18-483-2025, 2025
Short summary
Short summary
Clustering high-resolution satellite observations into superobservations improves model validation and data assimilation applications. In our paper, we derive quantitative uncertainties for satellite NO2 column observations based on knowledge of the retrievals, including a detailed analysis of spatial error correlations and representativity errors. The superobservations and uncertainty estimates are tested in a global chemical data assimilation system and are found to improve the forecasts.
Dario Di Santo, Cenlin He, Fei Chen, and Lorenzo Giovannini
Geosci. Model Dev., 18, 433–459, https://doi.org/10.5194/gmd-18-433-2025, https://doi.org/10.5194/gmd-18-433-2025, 2025
Short summary
Short summary
This paper presents the Machine Learning-based Automated Multi-method Parameter Sensitivity and Importance analysis Tool (ML-AMPSIT), a computationally efficient tool that uses machine learning algorithms for sensitivity analysis in atmospheric models. It is tested with the Weather Research and Forecasting (WRF) model coupled with the Noah-Multiparameterization (Noah-MP) land surface model to investigate sea breeze circulation sensitivity to vegetation-related parameters.
Robert Schoetter, Robin James Hogan, Cyril Caliot, and Valéry Masson
Geosci. Model Dev., 18, 405–431, https://doi.org/10.5194/gmd-18-405-2025, https://doi.org/10.5194/gmd-18-405-2025, 2025
Short summary
Short summary
Radiation is relevant to the atmospheric impact on people and infrastructure in cities as it can influence the urban heat island, building energy consumption, and human thermal comfort. A new urban radiation model, assuming a more realistic form of urban morphology, is coupled to the urban climate model Town Energy Balance (TEB). The new TEB is evaluated with a reference radiation model for a variety of urban morphologies, and an improvement in the simulated radiative observables is found.
Zebediah Engberg, Roger Teoh, Tristan Abbott, Thomas Dean, Marc E. J. Stettler, and Marc L. Shapiro
Geosci. Model Dev., 18, 253–286, https://doi.org/10.5194/gmd-18-253-2025, https://doi.org/10.5194/gmd-18-253-2025, 2025
Short summary
Short summary
Contrails forming in some atmospheric conditions may persist and become strongly warming cirrus, while in other conditions may be neutral or cooling. We develop a contrail forecast model to predict contrail climate forcing for any arbitrary point in space and time and explore integration into flight planning and air traffic management. This approach enables contrail interventions to target high-probability high-climate-impact regions and reduce unintended consequences of contrail management.
Nils Eingrüber, Alina Domm, Wolfgang Korres, and Karl Schneider
Geosci. Model Dev., 18, 141–160, https://doi.org/10.5194/gmd-18-141-2025, https://doi.org/10.5194/gmd-18-141-2025, 2025
Short summary
Short summary
Climate change adaptation measures like unsealings can reduce urban heat stress. As grass grid pavers have never been parameterized for microclimate model simulations with ENVI-met, a new parameterization was developed based on field measurements. To analyse the cooling potential, scenario analyses were performed for a densely developed area in Cologne. Statistically significant average cooling effects of up to −11.1 K were found for surface temperature and up to −2.9 K for 1 m air temperature.
Xuan Wang, Lei Bi, Hong Wang, Yaqiang Wang, Wei Han, Xueshun Shen, and Xiaoye Zhang
Geosci. Model Dev., 18, 117–139, https://doi.org/10.5194/gmd-18-117-2025, https://doi.org/10.5194/gmd-18-117-2025, 2025
Short summary
Short summary
The Artificial-Intelligence-based Nonspherical Aerosol Optical Scheme (AI-NAOS) was developed to improve the estimation of the aerosol direct radiation effect and was coupled online with a chemical weather model. The AI-NAOS scheme considers black carbon as fractal aggregates and soil dust as super-spheroids, encapsulated with hygroscopic aerosols. Real-case simulations emphasize the necessity of accurately representing nonspherical and inhomogeneous aerosols in chemical weather models.
Lukas Pfitzenmaier, Pavlos Kollias, Nils Risse, Imke Schirmacher, Bernat Puigdomenech Treserras, and Katia Lamer
Geosci. Model Dev., 18, 101–115, https://doi.org/10.5194/gmd-18-101-2025, https://doi.org/10.5194/gmd-18-101-2025, 2025
Short summary
Short summary
The Python tool Orbital-Radar transfers suborbital radar data (ground-based, airborne, and forward-simulated numerical weather prediction model) into synthetic spaceborne cloud profiling radar data, mimicking platform-specific instrument characteristics, e.g. EarthCARE or CloudSat. The tool's novelty lies in simulating characteristic errors and instrument noise. Thus, existing data sets are transferred into synthetic observations and can be used for satellite calibration–validation studies.
Mark Buehner, Jean-Francois Caron, Ervig Lapalme, Alain Caya, Ping Du, Yves Rochon, Sergey Skachko, Maziar Bani Shahabadi, Sylvain Heilliette, Martin Deshaies-Jacques, Weiguang Chang, and Michael Sitwell
Geosci. Model Dev., 18, 1–18, https://doi.org/10.5194/gmd-18-1-2025, https://doi.org/10.5194/gmd-18-1-2025, 2025
Short summary
Short summary
The Modular and Integrated Data Assimilation System (MIDAS) software is described. The flexible design of MIDAS enables both deterministic and ensemble prediction applications for the atmosphere and several other Earth system components. It is currently used for all main operational weather prediction systems in Canada and also for sea ice and sea surface temperature analysis. The use of MIDAS for multiple Earth system components will facilitate future research on coupled data assimilation.
Zichen Wu, Xueshun Chen, Zifa Wang, Huansheng Chen, Zhe Wang, Qing Mu, Lin Wu, Wending Wang, Xiao Tang, Jie Li, Ying Li, Qizhong Wu, Yang Wang, Zhiyin Zou, and Zijian Jiang
Geosci. Model Dev., 17, 8885–8907, https://doi.org/10.5194/gmd-17-8885-2024, https://doi.org/10.5194/gmd-17-8885-2024, 2024
Short summary
Short summary
We developed a model to simulate polycyclic aromatic hydrocarbons (PAHs) from global to regional scales. The model can reproduce PAH distribution well. The concentration of BaP (indicator species for PAHs) could exceed the target values of 1 ng m-3 over some areas (e.g., in central Europe, India, and eastern China). The change in BaP is lower than that in PM2.5 from 2013 to 2018. China still faces significant potential health risks posed by BaP although the Action Plan has been implemented.
Marie Taufour, Jean-Pierre Pinty, Christelle Barthe, Benoît Vié, and Chien Wang
Geosci. Model Dev., 17, 8773–8798, https://doi.org/10.5194/gmd-17-8773-2024, https://doi.org/10.5194/gmd-17-8773-2024, 2024
Short summary
Short summary
We have developed a complete two-moment version of the LIMA (Liquid Ice Multiple Aerosols) microphysics scheme. We have focused on collection processes, where the hydrometeor number transfer is often estimated in proportion to the mass transfer. The impact of these parameterizations on a convective system and the prospects for more realistic estimates of secondary parameters (reflectivity, hydrometeor size) are shown in a first test on an idealized case.
Yuya Takane, Yukihiro Kikegawa, Ko Nakajima, and Hiroyuki Kusaka
Geosci. Model Dev., 17, 8639–8664, https://doi.org/10.5194/gmd-17-8639-2024, https://doi.org/10.5194/gmd-17-8639-2024, 2024
Short summary
Short summary
A new parameterisation for dynamic anthropogenic heat and electricity consumption is described. The model reproduced the temporal variation in and spatial distributions of electricity consumption and temperature well in summer and winter. The partial air conditioning was the most critical factor, significantly affecting the value of anthropogenic heat emission.
Hongyi Li, Ting Yang, Lars Nerger, Dawei Zhang, Di Zhang, Guigang Tang, Haibo Wang, Yele Sun, Pingqing Fu, Hang Su, and Zifa Wang
Geosci. Model Dev., 17, 8495–8519, https://doi.org/10.5194/gmd-17-8495-2024, https://doi.org/10.5194/gmd-17-8495-2024, 2024
Short summary
Short summary
To accurately characterize the spatiotemporal distribution of particulate matter <2.5 µm chemical components, we developed the Nested Air Quality Prediction Model System with the Parallel Data Assimilation Framework (NAQPMS-PDAF) v2.0 for chemical components with non-Gaussian and nonlinear properties. NAQPMS-PDAF v2.0 has better computing efficiency, excels when used with a small ensemble size, and can significantly improve the simulation performance of chemical components.
T. Nash Skipper, Christian Hogrefe, Barron H. Henderson, Rohit Mathur, Kristen M. Foley, and Armistead G. Russell
Geosci. Model Dev., 17, 8373–8397, https://doi.org/10.5194/gmd-17-8373-2024, https://doi.org/10.5194/gmd-17-8373-2024, 2024
Short summary
Short summary
Chemical transport model simulations are combined with ozone observations to estimate the bias in ozone attributable to US anthropogenic sources and individual sources of US background ozone: natural sources, non-US anthropogenic sources, and stratospheric ozone. Results indicate a positive bias correlated with US anthropogenic emissions during summer in the eastern US and a negative bias correlated with stratospheric ozone during spring.
Li Fang, Jianbing Jin, Arjo Segers, Ke Li, Ji Xia, Wei Han, Baojie Li, Hai Xiang Lin, Lei Zhu, Song Liu, and Hong Liao
Geosci. Model Dev., 17, 8267–8282, https://doi.org/10.5194/gmd-17-8267-2024, https://doi.org/10.5194/gmd-17-8267-2024, 2024
Short summary
Short summary
Model evaluations against ground observations are usually unfair. The former simulates mean status over coarse grids and the latter the surrounding atmosphere. To solve this, we proposed the new land-use-based representative (LUBR) operator that considers intra-grid variance. The LUBR operator is validated to provide insights that align with satellite measurements. The results highlight the importance of considering fine-scale urban–rural differences when comparing models and observation.
Mijie Pang, Jianbing Jin, Arjo Segers, Huiya Jiang, Wei Han, Batjargal Buyantogtokh, Ji Xia, Li Fang, Jiandong Li, Hai Xiang Lin, and Hong Liao
Geosci. Model Dev., 17, 8223–8242, https://doi.org/10.5194/gmd-17-8223-2024, https://doi.org/10.5194/gmd-17-8223-2024, 2024
Short summary
Short summary
The ensemble Kalman filter (EnKF) improves dust storm forecasts but faces challenges with position errors. The valid time shifting EnKF (VTS-EnKF) addresses this by adjusting for position errors, enhancing accuracy in forecasting dust storms, as proven in tests on 2021 events, even with smaller ensembles and time intervals.
Prabhakar Namdev, Maithili Sharan, Piyush Srivastava, and Saroj Kanta Mishra
Geosci. Model Dev., 17, 8093–8114, https://doi.org/10.5194/gmd-17-8093-2024, https://doi.org/10.5194/gmd-17-8093-2024, 2024
Short summary
Short summary
Inadequate representation of surface–atmosphere interaction processes is a major source of uncertainty in numerical weather prediction models. Here, an effort has been made to improve the Weather Research and Forecasting (WRF) model version 4.2.2 by introducing a unique theoretical framework under convective conditions. In addition, to enhance the potential applicability of the WRF modeling system, various commonly used similarity functions under convective conditions have also been installed.
Andrew Gettelman, Richard Forbes, Roger Marchand, Chih-Chieh Chen, and Mark Fielding
Geosci. Model Dev., 17, 8069–8092, https://doi.org/10.5194/gmd-17-8069-2024, https://doi.org/10.5194/gmd-17-8069-2024, 2024
Short summary
Short summary
Supercooled liquid clouds (liquid clouds colder than 0°C) are common at higher latitudes (especially over the Southern Ocean) and are critical for constraining climate projections. We compare a single-column version of a weather model to observations with two different cloud schemes and find that both the dynamical environment and atmospheric aerosols are important for reproducing observations.
Yujuan Wang, Peng Zhang, Jie Li, Yaman Liu, Yanxu Zhang, Jiawei Li, and Zhiwei Han
Geosci. Model Dev., 17, 7995–8021, https://doi.org/10.5194/gmd-17-7995-2024, https://doi.org/10.5194/gmd-17-7995-2024, 2024
Short summary
Short summary
This study updates the CESM's aerosol schemes, focusing on dust, marine aerosol emissions, and secondary organic aerosol (SOA) . Dust emission modifications make deflation areas more continuous, improving results in North America and the sub-Arctic. Humidity correction to sea-salt emissions has a minor effect. Introducing marine organic aerosol emissions, coupled with ocean biogeochemical processes, and adding aqueous reactions for SOA formation advance the CESM's aerosol modelling results.
Lucas A. McMichael, Michael J. Schmidt, Robert Wood, Peter N. Blossey, and Lekha Patel
Geosci. Model Dev., 17, 7867–7888, https://doi.org/10.5194/gmd-17-7867-2024, https://doi.org/10.5194/gmd-17-7867-2024, 2024
Short summary
Short summary
Marine cloud brightening (MCB) is a climate intervention technique to potentially cool the climate. Climate models used to gauge regional climate impacts associated with MCB often assume large areas of the ocean are uniformly perturbed. However, a more realistic representation of MCB application would require information about how an injected particle plume spreads. This work aims to develop such a plume-spreading model.
Leonardo Olivetti and Gabriele Messori
Geosci. Model Dev., 17, 7915–7962, https://doi.org/10.5194/gmd-17-7915-2024, https://doi.org/10.5194/gmd-17-7915-2024, 2024
Short summary
Short summary
Data-driven models are becoming a viable alternative to physics-based models for weather forecasting up to 15 d into the future. However, it is unclear whether they are as reliable as physics-based models when forecasting weather extremes. We evaluate their performance in forecasting near-surface cold, hot, and windy extremes globally. We find that data-driven models can compete with physics-based models and that the choice of the best model mainly depends on the region and type of extreme.
David C. Wong, Jeff Willison, Jonathan E. Pleim, Golam Sarwar, James Beidler, Russ Bullock, Jerold A. Herwehe, Rob Gilliam, Daiwen Kang, Christian Hogrefe, George Pouliot, and Hosein Foroutan
Geosci. Model Dev., 17, 7855–7866, https://doi.org/10.5194/gmd-17-7855-2024, https://doi.org/10.5194/gmd-17-7855-2024, 2024
Short summary
Short summary
This work describe how we linked the meteorological Model for Prediction Across Scales – Atmosphere (MPAS-A) with the Community Multiscale Air Quality (CMAQ) air quality model to form a coupled modelling system. This could be used to study air quality or climate and air quality interaction at a global scale. This new model scales well in high-performance computing environments and performs well with respect to ground surface networks in terms of ozone and PM2.5.
Giulio Mandorli and Claudia J. Stubenrauch
Geosci. Model Dev., 17, 7795–7813, https://doi.org/10.5194/gmd-17-7795-2024, https://doi.org/10.5194/gmd-17-7795-2024, 2024
Short summary
Short summary
In recent years, several studies focused their attention on the disposition of convection. Lots of methods, called indices, have been developed to quantify the amount of convection clustering. These indices are evaluated in this study by defining criteria that must be satisfied and then evaluating the indices against these standards. None of the indices meet all criteria, with some only partially meeting them.
Kerry Anderson, Jack Chen, Peter Englefield, Debora Griffin, Paul A. Makar, and Dan Thompson
Geosci. Model Dev., 17, 7713–7749, https://doi.org/10.5194/gmd-17-7713-2024, https://doi.org/10.5194/gmd-17-7713-2024, 2024
Short summary
Short summary
The Global Forest Fire Emissions Prediction System (GFFEPS) is a model that predicts smoke and carbon emissions from wildland fires. The model calculates emissions from the ground up based on satellite-detected fires, modelled weather and fire characteristics. Unlike other global models, GFFEPS uses daily weather conditions to capture changing burning conditions on a day-to-day basis. GFFEPS produced lower carbon emissions due to the changing weather not captured by the other models.
Jianyu Lin, Tie Dai, Lifang Sheng, Weihang Zhang, Shangfei Hai, and Yawen Kong
EGUsphere, https://doi.org/10.5194/egusphere-2024-3321, https://doi.org/10.5194/egusphere-2024-3321, 2024
Short summary
Short summary
The effectiveness of assimilation system and its sensitivity to ensemble member size and length of assimilation window have been investigated. This study advances our understanding about the selection of basic parameters in the four-dimension local ensemble transform Kalman filter assimilation system and the performance of ensemble simulation in a particulate matter polluted environment.
Yi-Ning Shi, Jun Yang, Wei Han, Lujie Han, Jiajia Mao, Wanlin Kan, and Fuzhong Weng
EGUsphere, https://doi.org/10.5194/egusphere-2024-2884, https://doi.org/10.5194/egusphere-2024-2884, 2024
Short summary
Short summary
Assimilating Ground-based microwave radiometers' observations into numerical weather prediction models holds significant promise for enhancing forecast accuracy. Radiative transfer models (RTM) are crucial for direct data assimilation. We propose a new RTM capable of simulating brightness temperatures observed by GMRs and their Jacobians. Several improvements are introduced to achieve higher accuracy.The RTM align with RTTOV-gb well and can achieve smaller STD in water vapor absorption channels.
Samiha Binte Shahid, Forrest G. Lacey, Christine Wiedinmyer, Robert J. Yokelson, and Kelley C. Barsanti
Geosci. Model Dev., 17, 7679–7711, https://doi.org/10.5194/gmd-17-7679-2024, https://doi.org/10.5194/gmd-17-7679-2024, 2024
Short summary
Short summary
The Next-generation Emissions InVentory expansion of Akagi (NEIVA) v.1.0 is a comprehensive biomass burning emissions database that allows integration of new data and flexible querying. Data are stored in connected datasets, including recommended averages of ~1500 constituents for 14 globally relevant fire types. Individual compounds were mapped to common model species to allow better attribution of emissions in modeling studies that predict the effects of fires on air quality and climate.
Lucie Bakels, Daria Tatsii, Anne Tipka, Rona Thompson, Marina Dütsch, Michael Blaschek, Petra Seibert, Katharina Baier, Silvia Bucci, Massimo Cassiani, Sabine Eckhardt, Christine Groot Zwaaftink, Stephan Henne, Pirmin Kaufmann, Vincent Lechner, Christian Maurer, Marie D. Mulder, Ignacio Pisso, Andreas Plach, Rakesh Subramanian, Martin Vojta, and Andreas Stohl
Geosci. Model Dev., 17, 7595–7627, https://doi.org/10.5194/gmd-17-7595-2024, https://doi.org/10.5194/gmd-17-7595-2024, 2024
Short summary
Short summary
Computer models are essential for improving our understanding of how gases and particles move in the atmosphere. We present an update of the atmospheric transport model FLEXPART. FLEXPART 11 is more accurate due to a reduced number of interpolations and a new scheme for wet deposition. It can simulate non-spherical aerosols and includes linear chemical reactions. It is parallelised using OpenMP and includes new user options. A new user manual details how to use FLEXPART 11.
Jaroslav Resler, Petra Bauerová, Michal Belda, Martin Bureš, Kryštof Eben, Vladimír Fuka, Jan Geletič, Radek Jareš, Jan Karel, Josef Keder, Pavel Krč, William Patiño, Jelena Radović, Hynek Řezníček, Matthias Sühring, Adriana Šindelářová, and Ondřej Vlček
Geosci. Model Dev., 17, 7513–7537, https://doi.org/10.5194/gmd-17-7513-2024, https://doi.org/10.5194/gmd-17-7513-2024, 2024
Short summary
Short summary
Detailed modeling of urban air quality in stable conditions is a challenge. We show the unprecedented sensitivity of a large eddy simulation (LES) model to meteorological boundary conditions and model parameters in an urban environment under stable conditions. We demonstrate the crucial role of boundary conditions for the comparability of results with observations. The study reveals a strong sensitivity of the results to model parameters and model numerical instabilities during such conditions.
Matthieu Dabrowski, José Mennesson, Jérôme Riedi, Chaabane Djeraba, and Pierre Nabat
EGUsphere, https://doi.org/10.5194/egusphere-2024-2676, https://doi.org/10.5194/egusphere-2024-2676, 2024
Short summary
Short summary
This work focuses on the prediction of aerosol concentration values at 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 of networks architectures and information fusion methods allows the extraction of knowledge on the most efficient methods in the context of this study.
Jorge E. Pachón, Mariel A. Opazo, Pablo Lichtig, Nicolas Huneeus, Idir Bouarar, Guy Brasseur, Cathy W. Y. Li, Johannes Flemming, Laurent Menut, Camilo Menares, Laura Gallardo, Michael Gauss, Mikhail Sofiev, Rostislav Kouznetsov, Julia Palamarchuk, Andreas Uppstu, Laura Dawidowski, Nestor Y. Rojas, María de Fátima Andrade, Mario E. Gavidia-Calderón, Alejandro H. Delgado Peralta, and Daniel Schuch
Geosci. Model Dev., 17, 7467–7512, https://doi.org/10.5194/gmd-17-7467-2024, https://doi.org/10.5194/gmd-17-7467-2024, 2024
Short summary
Short summary
Latin America (LAC) has some of the most populated urban areas in the world, with high levels of air pollution. Air quality management in LAC has been traditionally focused on surveillance and building emission inventories. This study performed the first intercomparison and model evaluation in LAC, with interesting and insightful findings for the region. A multiscale modeling ensemble chain was assembled as a first step towards an air quality forecasting system.
David Ho, Michał Gałkowski, Friedemann Reum, Santiago Botía, Julia Marshall, Kai Uwe Totsche, and Christoph Gerbig
Geosci. Model Dev., 17, 7401–7422, https://doi.org/10.5194/gmd-17-7401-2024, https://doi.org/10.5194/gmd-17-7401-2024, 2024
Short summary
Short summary
Atmospheric model users often overlook the impact of the land–atmosphere interaction. This study accessed various setups of WRF-GHG simulations that ensure consistency between the model and driving reanalysis fields. We found that a combination of nudging and frequent re-initialization allows certain improvement by constraining the soil moisture fields and, through its impact on atmospheric mixing, improves atmospheric transport.
Jie Gao, Yi Huang, Jonathon S. Wright, Ke Li, Tao Geng, and Qiurun Yu
EGUsphere, https://doi.org/10.5194/egusphere-2024-2815, https://doi.org/10.5194/egusphere-2024-2815, 2024
Short summary
Short summary
The aerosol in the upper troposphere and stratosphere is highly variable, and its radiative effect is poorly understood. To estimate that 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 and consists well with radiative model calculations and can be applied to atmospheric models with speed requirements.
Phuong Loan Nguyen, Lisa V. Alexander, Marcus J. Thatcher, Son C. H. Truong, Rachael N. Isphording, and John L. McGregor
Geosci. Model Dev., 17, 7285–7315, https://doi.org/10.5194/gmd-17-7285-2024, https://doi.org/10.5194/gmd-17-7285-2024, 2024
Short summary
Short summary
We use a comprehensive approach to select a subset of CMIP6 models for dynamical downscaling over Southeast Asia, taking into account model performance, model independence, data availability and the range of future climate projections. The standardised benchmarking framework is applied to assess model performance through both statistical and process-based metrics. Ultimately, we identify two independent model groups that are suitable for dynamical downscaling in the Southeast Asian region.
Ingrid Super, Tia Scarpelli, Arjan Droste, and Paul I. Palmer
Geosci. Model Dev., 17, 7263–7284, https://doi.org/10.5194/gmd-17-7263-2024, https://doi.org/10.5194/gmd-17-7263-2024, 2024
Short summary
Short summary
Monitoring greenhouse gas emission reductions requires a combination of models and observations, as well as an initial emission estimate. Each component provides information with a certain level of certainty and is weighted to yield the most reliable estimate of actual emissions. We describe efforts for estimating the uncertainty in the initial emission estimate, which significantly impacts the outcome. Hence, a good uncertainty estimate is key for obtaining reliable information on emissions.
Álvaro González-Cervera and Luis Durán
Geosci. Model Dev., 17, 7245–7261, https://doi.org/10.5194/gmd-17-7245-2024, https://doi.org/10.5194/gmd-17-7245-2024, 2024
Short summary
Short summary
RASCAL is an open-source Python tool designed for reconstructing daily climate observations, especially in regions with complex local phenomena. It merges large-scale weather patterns with local weather using the analog method. Evaluations in central Spain show that RASCAL outperforms ERA20C reanalysis in reconstructing precipitation and temperature. RASCAL offers opportunities for broad scientific applications, from short-term forecasts to local-scale climate change scenarios.
Matti Niskanen, Aku Seppänen, Henri Oikarinen, Miska Olin, Panu Karjalainen, Santtu Mikkonen, and Kari Lehtinen
EGUsphere, https://doi.org/10.5194/egusphere-2024-1898, https://doi.org/10.5194/egusphere-2024-1898, 2024
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.
Sun-Young Park, Kyo-Sun Sunny Lim, Kwonil Kim, Gyuwon Lee, and Jason A. Milbrandt
Geosci. Model Dev., 17, 7199–7218, https://doi.org/10.5194/gmd-17-7199-2024, https://doi.org/10.5194/gmd-17-7199-2024, 2024
Short summary
Short summary
We enhance the WDM6 scheme by incorporating predicted graupel density. The modification affects graupel characteristics, including fall velocity–diameter and mass–diameter relationships. Simulations highlight changes in graupel distribution and precipitation patterns, potentially influencing surface snow amounts. The study underscores the significance of integrating predicted graupel density for a more realistic portrayal of microphysical properties in weather models.
Christos I. Efstathiou, Elizabeth Adams, Carlie J. Coats, Robert Zelt, Mark Reed, John McGee, Kristen M. Foley, Fahim I. Sidi, David C. Wong, Steven Fine, and Saravanan Arunachalam
Geosci. Model Dev., 17, 7001–7027, https://doi.org/10.5194/gmd-17-7001-2024, https://doi.org/10.5194/gmd-17-7001-2024, 2024
Short summary
Short summary
We present a summary of enabling high-performance computing of the Community Multiscale Air Quality Model (CMAQ) – a state-of-the-science community multiscale air quality model – on two cloud computing platforms through documenting the technologies, model performance, scaling and relative merits. This may be a new paradigm for computationally intense future model applications. We initiated this work due to a need to leverage cloud computing advances and to ease the learning curve for new users.
Peter A. Bogenschutz, Jishi Zhang, Qi Tang, and Philip Cameron-Smith
Geosci. Model Dev., 17, 7029–7050, https://doi.org/10.5194/gmd-17-7029-2024, https://doi.org/10.5194/gmd-17-7029-2024, 2024
Short summary
Short summary
Using high-resolution and state-of-the-art modeling techniques we simulate five atmospheric river events for California to test the capability to represent precipitation for these events. We find that our model is able to capture the distribution of precipitation very well but suffers from overestimating the precipitation amounts over high elevation. Increasing the resolution further has no impact on reducing this bias, while increasing the domain size does have modest impacts.
Manu Anna Thomas, Klaus Wyser, Shiyu Wang, Marios Chatziparaschos, Paraskevi Georgakaki, Montserrat Costa-Surós, Maria Gonçalves Ageitos, Maria Kanakidou, Carlos Pérez García-Pando, Athanasios Nenes, Twan van Noije, Philippe Le Sager, and Abhay Devasthale
Geosci. Model Dev., 17, 6903–6927, https://doi.org/10.5194/gmd-17-6903-2024, https://doi.org/10.5194/gmd-17-6903-2024, 2024
Short summary
Short summary
Aerosol–cloud interactions occur at a range of spatio-temporal scales. While evaluating recent developments in EC-Earth3-AerChem, this study aims to understand the extent to which the Twomey effect manifests itself at larger scales. We find a reduction in the warm bias over the Southern Ocean due to model improvements. While we see footprints of the Twomey effect at larger scales, the negative relationship between cloud droplet number and liquid water drives the shortwave radiative effect.
Kai Cao, Qizhong Wu, Lingling Wang, Hengliang Guo, Nan Wang, Huaqiong Cheng, Xiao Tang, Dongxing Li, Lina Liu, Dongqing Li, Hao Wu, and Lanning Wang
Geosci. Model Dev., 17, 6887–6901, https://doi.org/10.5194/gmd-17-6887-2024, https://doi.org/10.5194/gmd-17-6887-2024, 2024
Short summary
Short summary
AMD’s heterogeneous-compute interface for portability was implemented to port the piecewise parabolic method solver from NVIDIA GPUs to China's GPU-like accelerators. The results show that the larger the model scale, the more acceleration effect on the GPU-like accelerator, up to 28.9 times. The multi-level parallelism achieves a speedup of 32.7 times on the heterogeneous cluster. By comparing the results, the GPU-like accelerators have more accuracy for the geoscience numerical models.
Ruyi Zhang, Limin Zhou, Shin-ichiro Shima, and Huawei Yang
Geosci. Model Dev., 17, 6761–6774, https://doi.org/10.5194/gmd-17-6761-2024, https://doi.org/10.5194/gmd-17-6761-2024, 2024
Short summary
Short summary
Solar activity weakly ionises Earth's atmosphere, charging cloud droplets. Electro-coalescence is when oppositely charged droplets stick together. We introduce an analytical expression of electro-coalescence probability and use it in a warm-cumulus-cloud simulation. Results show that charge cases increase rain and droplet size, with the new method outperforming older ones. The new method requires longer computation time, but its impact on rain justifies inclusion in meteorology models.
Hilda Sandström and Patrick Rinke
EGUsphere, https://doi.org/10.48550/arXiv.2406.18171, https://doi.org/10.48550/arXiv.2406.18171, 2024
Short summary
Short summary
Machine learning has the potential to aid the identification 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 model in atmospheric sciences.
Cited articles
Andreae, M. and Rosenfeld, D.: Aerosol–cloud–precipitation interactions.
Part 1. The nature and sources of cloud-active aerosols, Earth-Sci. Rev., 89, 13–41, https://doi.org/10.1016/j.earscirev.2008.03.001,
2008. a
Arakaki, T., Anastasio, C., Kuroki, Y., Nakajima, H., Okada, K., Kotani, Y.,
Handa, D., Azechi, S., Kimura, T., Tsuhako, A., and Miyagi, Y.: A General
Scavenging Rate Constant for Reaction of Hydroxyl Radical with Organic Carbon
in Atmospheric Waters, Environ. Sci. Technol., 47, 8196–8203,
https://doi.org/10.1021/es401927b, 2013. a, b
Back, R. A.: The ultraviolet absorption spectrum of oxalic acid vapor, Canadian
J. Chem., 62, 1414–1428, https://doi.org/10.1139/v84-241, 1984. a, b
Betterton, E. A. and Hoffmann, M. R.: Henry's law constants of some
environmentally important aldehydes, Environ. Sci. Technol., 22, 1415–1418,
https://doi.org/10.1021/ES00177A004, 1988. a
Blando, J. D. and Turpin, B. J.: Secondary organic aerosol formation in cloud
and fog droplets: a literature evaluation of plausibility, Atmos.
Environ., 34, 1623–1632, https://doi.org/10.1016/S1352-2310(99)00392-1, 2000. a
Bott, A. and Zdunkowski, W.: Electromagnetic energy within dielectric spheres,
J. Opt. Soc. Am. A, 4, 1361–1365, https://doi.org/10.1364/JOSAA.4.001361, 1987. a
Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Huie, R. E., Kolb,
C. E., Kurylo, M. J., Orkin, V. L., Wilmouth, D. M., and Wine, P. H.:
Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies,
Evaluation No. 18, JPL Publication 15-10, Jet Propulsion Laboratory,
Pasadena, available at: https://jpldataeval.jpl.nasa.gov/pdf/JPL_Publication_15-10.pdf (last access: 26 May 2021), 2015. a, b
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
DeCosta, D. P. and Pincock, J. A.: Control of product distribution by Marcus
type electron-transfer rates for the radical pair generated in benzylic ester
photochemistry, J. Am. Chem. Soc., 111, 8948–8950,
https://doi.org/10.1021/ja00206a045, 1989. a
Epstein, S. A. and Nizkorodov, S. A.: A comparison of the chemical sinks of atmospheric organics in the gas and aqueous phase, Atmos. Chem. Phys., 12, 8205–8222, https://doi.org/10.5194/acp-12-8205-2012, 2012. 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, b, c, d
Ervens, B. and Volkamer, R.: Glyoxal processing by aerosol multiphase chemistry: towards a kinetic modeling framework of secondary organic aerosol formation in aqueous particles, Atmos. Chem. Phys., 10, 8219–8244, https://doi.org/10.5194/acp-10-8219-2010, 2010. a, b, c
Ervens, B., Turpin, B. J., and Weber, R. J.: Secondary organic aerosol formation in cloud droplets and aqueous particles (aqSOA): a review of laboratory, field and model studies, Atmos. Chem. Phys., 11, 11069–11102, https://doi.org/10.5194/acp-11-11069-2011, 2011. a
Ervens, B., Renard, P., Tlili, S., Ravier, S., Clément, J.-L., and Monod, A.: Aqueous-phase oligomerization of methyl vinyl ketone through photooxidation – Part 2: Development of the chemical mechanism and atmospheric implications, Atmos. Chem. Phys., 15, 9109–9127, https://doi.org/10.5194/acp-15-9109-2015, 2015. a
Guenther, A. B., Jiang, X., Heald, C. L., Sakulyanontvittaya, T., Duhl, T., Emmons, L. K., and Wang, X.: The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions, Geosci. Model Dev., 5, 1471–1492, https://doi.org/10.5194/gmd-5-1471-2012, 2012. a
Hahnenstein, I., Albert, M., Hasse, H., Kreiter, C. G., and Maurer, G.: NMR
Spectroscopic and Densimetric Study of Reaction Kinetics of Formaldehyde
Polymer Formation in Water, Deuterium Oxide, and Methanol, Ind. Eng. Chem. Res., 34, 440–450, https://doi.org/10.1021/ie00041a003,
1995. 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.: Kinetics of Aqueous Phase Reactions Relevant for Atmospheric
Chemistry, Chem. Rev., 103, 4691–4716, https://doi.org/10.1021/cr020658q, 2003. 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, b, c
Hilborn, J. W. and Pincock, J. A.: Rates of decarboxylation of acyloxy radicals formed in the photocleavage of substituted 1-naphthylmethyl alkanoates, J. Am. Chem. Soc., 113, 2683–2686,
https://doi.org/10.1021/ja00007a049, 1991. a
Jacob, D. J.: Chemistry of OH in remote clouds and its role in the production
of formic acid and peroxymonosulfate, J. Geophys. Res.-Atmos., 91, 9807–9826, https://doi.org/10.1029/JD091iD09p09807, 1986. a
Jarecka, D., Grabowski, W. W., Morrison, H., and Pawlowska, H.: Homogeneity of the Subgrid-Scale Turbulent Mixing in Large-Eddy Simulation of Shallow
Convection, J. Atmos. Sci., 70, 2751–2767, https://doi.org/10.1175/JAS-D-13-042.1, 2013. a
Jenkin, M. E., Young, J. C., and Rickard, A. R.: The MCM v3.3.1 degradation scheme for isoprene, Atmos. Chem. Phys., 15, 11433–11459, https://doi.org/10.5194/acp-15-11433-2015, 2015. a
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, b
Jülich Supercomputing Centre: JUWELS: Modular Tier-0/1 Supercomputer at the Jülich Supercomputing Centre, J. Large-Scale Res.
Fac., 5, A171, https://doi.org/10.17815/jlsrf-5-171, 2019.
Lelieveld, J. and Crutzen, P. J.: Influences of cloud photochemical processes
on tropospheric ozone, Nature, 343, 227–233, https://doi.org/10.1038/343227a0, 1990. a, b
Liang, J. and Jacob, D. J.: Effect of aqueous phase cloud chemistry on
tropospheric ozone, J. Geophys. Res.-Atmos., 102,
5993–6001, https://doi.org/10.1029/96JD02957, 1997. a
Lim, Y. B., Tan, Y., and Turpin, B. J.: Chemical insights, explicit chemistry, and yields of secondary organic aerosol from OH radical oxidation of methylglyoxal and glyoxal in the aqueous phase, Atmos. Chem. Phys., 13, 8651–8667, https://doi.org/10.5194/acp-13-8651-2013, 2013. a
Lin, G., Penner, J. E., Sillman, S., Taraborrelli, D., and Lelieveld, J.: Global modeling of SOA formation from dicarbonyls, epoxides, organic nitrates and peroxides, Atmos. Chem. Phys., 12, 4743–4774, https://doi.org/10.5194/acp-12-4743-2012, 2012. a, b
Mayer, B. and Madronich, S.: Actinic flux and photolysis in water droplets: Mie calculations and geometrical optics limit, Atmos. Chem. Phys., 4, 2241–2250, https://doi.org/10.5194/acp-4-2241-2004, 2004. 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, b
Monod, A., Chevallier, E., Jolibois, R. D., Doussin, J., Picquet-Varrault, B., and Carlier, P.: Photooxidation of methylhydroperoxide and ethylhydroperoxide in the aqueous phase under simulated cloud droplet conditions, Atmos. Environ., 41, 2412–2426, https://doi.org/10.1016/j.atmosenv.2006.10.006, 2007. a, b
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, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q, r, s, t, u, v, w
Nölscher, A., 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
Piesiak, A., Schuchmann, M. N., Zegota, H., and von Sonntag, C.:
β-Hydroxyethylperoxyl radicals: a study of the
γ-radiolysis andpulse radiolysis of ethylene in oxygenated
aqueous solutions, Z. Naturforsch., 39, 1262–1267, 1984. a
Poulain, L., Katrib, Y., Isikli, E., Liu, Y., Wortham, H., Mirabel, P., Calvé, S. L., and Monod, A.: In-cloud multiphase behaviour of acetone in the
troposphere: Gas uptake, Henry’s law equilibrium and aqueous phase
photooxidation, Chemosphere, 81, 312–320,
https://doi.org/10.1016/j.chemosphere.2010.07.032, 2010. a
Rosanka, S., Franco, B., Clarisse, L., Coheur, P.-F., Wahner, A., and Taraborrelli, D.: Organic pollutants from tropical peatland fires: regional influences and its impact on lower stratospheric ozone, Atmos. Chem. Phys. Discuss. [preprint], https://doi.org/10.5194/acp-2020-1130, in review, 2020. a
Rosanka, S., Sander, R., Franco, B., Wespes, C., Wahner, A., and Taraborrelli, D.: Oxidation of low-molecular-weight organic compounds in cloud droplets: global impact on tropospheric oxidants, Atmos. Chem. Phys., 21, 9909–9930,
https://doi.org/10.5194/acp-21-9909-2021, 2021a. a, b, c, d, e, f, g, h, i, j
Rosanka, S., Sander, R., Wahner, A., and Taraborrelli, D.: Model output from
CAABA/MECCA obtained during the development of JAMOC [Data set], Jülich DATA,
https://doi.org/10.26165/JUELICH-DATA/SD9F6B, 2021b. a
Ruggaber, A., Dlugi, R., Bott, A., Forkel, R., Herrmann, H., and Jacobi, H.-W.: Modelling of radiation quantities and photolysis frequencies in the aqueous phase in the troposphere, Atmos. Environ., 31, 3137–3150,
https://doi.org/10.1016/S1352-2310(97)00058-7,1997. a
Rumble, J. R. (Ed.): CRC Handbook of Chemistry and Physics, 101st edn., CRC
Press, Boca Raton, FL, 2020. a
Sander, R.: Modeling Atmospheric Chemistry: Interactions between Gas-Phase
Species and Liquid Cloud/Aerosol Particles, Surv. Geophys., 20, 1–31,
https://doi.org/10.1023/A:1006501706704, 1999. a
Sander, R.: Compilation of Henry's law constants (version 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399–4981, https://doi.org/10.5194/acp-15-4399-2015, 2015. a
Sander, R.: Chemistry As A Boxmodel Application / Module Efficiently Calculating the Chemistry of the Atmosphere, available at: https://gitlab.com/RolfSander/caaba-mecca, last access: 25 May 2021a. a
Sander, R.: The community atmospheric chemistry box model CAABA/MECCA [Data set], version 4.5.0, Zenodo,
https://doi.org/10.5281/zenodo.4707938, 2021b. 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
Schuchmann, M. N., Zegota, H., and von Sonntag, C.: Acetateperoxyl radicals,
Schwartz, S. E.: Mass-Transport Considerations Pertinent to Aqueous Phase
Reactions of Gases in Liquid-Water Clouds, in: Chemistry of Multiphase
Atmospheric Systems, edited by: Jaeschke, W., Springer Berlin
Heidelberg, Berlin, Heidelberg, 415–471, 1986. a
Staehelin, J. and Hoigné, J.: Decomposition of ozone in water in the presence
of organic solutes acting as promoters and inhibitors of radical chain
reactions, Environ. Sci. Technol., 19, 1206–1213,
https://doi.org/10.1021/es00142a012, 1985. a
Staehelin, J., Buehler, R. E., and Hoigné, J.: Ozone decomposition in water
studied by pulse radiolysis. 2. Hydroxyl and hydrogen tetroxide (HO4) as
chain intermediates, J. Phys. Chem., 88, 5999–6004,
https://doi.org/10.1021/j150668a051, 1984. a
Tan, Y., Perri, M. J., Seitzinger, S. P., and Turpin, B. J.: Effects of
Precursor Concentration and Acidic Sulfate in Aqueous Glyoxal–OH Radical
Oxidation and Implications for Secondary Organic Aerosol, Environ.
Sci. Technol., 43, 8105–8112, https://doi.org/10.1021/es901742f, 2009. a
Taraborrelli, D., Lawrence, M. G., Butler, T. M., Sander, R., and Lelieveld, J.: Mainz Isoprene Mechanism 2 (MIM2): an isoprene oxidation mechanism for regional and global atmospheric modelling, Atmos. Chem. Phys., 9, 2751–2777, https://doi.org/10.5194/acp-9-2751-2009, 2009. a, b
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, b
Tie, X., Madronich, S., Walters, S., Edwards, D. P., Ginoux, P., Mahowald, N., Zhang, R., Lou, C., and Brasseur, G.: Assessment of the global impact of aerosols on tropospheric oxidants, J. Geophys. Res.-Atmos., 110, D03204, https://doi.org/10.1029/2004JD005359, 2005. a
Tilgner, A., Bräuer, P., Wolke, R., and Herrmann, H.: Modelling multiphase chemistry in deliquescent aerosols and clouds using CAPRAM3.0i, J.
Atmos. Chem., 70, 221–256, https://doi.org/10.1007/s10874-013-9267-4, 2013. 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
Tost, H., Jöckel, P., Kerkweg, A., Pozzer, A., Sander, R., and Lelieveld, J.: Global cloud and precipitation chemistry and wet deposition: tropospheric model simulations with ECHAM5/MESSy1, Atmos. Chem. Phys., 7, 2733–2757, https://doi.org/10.5194/acp-7-2733-2007, 2007. a, b
Villalta, P. W., Lovejoy, E. R., and Hanson, D. R.: Reaction probability of
peroxyacetyl radical on aqueous surfaces, Geophys. Res. Lett., 23,
1765–1768, https://doi.org/10.1029/96GL01286, 1996. a, b
von Sonntag, C. and Schuchmann, H.-P.: Peroxyl Radicals in Aqueous Solutions,
in: The Chemistry of Free Radicals: Peroxyl Radicals, Wiley, New York, 1997. a
Yamamoto, S. and Back, R. A.: The gas-phase photochemistry of oxalic acid, J. Phys. Chem., 89, 622–625, https://doi.org/10.1021/j100250a014, 1985. a, b
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.
The Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC) is developed and implemented...
Special issue