Articles | Volume 17, issue 19
https://doi.org/10.5194/amt-17-5887-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/amt-17-5887-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
07 Oct 2024
Research article |
| 07 Oct 2024
| 07 Oct 2024
Evaluation of a reduced-pressure chemical ion reactor utilizing adduct ionization for the detection of gaseous organic and inorganic species
Matthieu Riva
CORRESPONDING AUTHOR
TOFWERK, 3645 Thun, Switzerland
Université Claude Bernard Lyon 1, CNRS, IRCELYON 69626, Villeurbanne, France
Veronika Pospisilova
TOFWERK, 3645 Thun, Switzerland
Carla Frege
TOFWERK, 3645 Thun, Switzerland
Sebastien Perrier
Université Claude Bernard Lyon 1, CNRS, IRCELYON 69626, Villeurbanne, France
Priyanka Bansal
TOFWERK, 3645 Thun, Switzerland
Spiro Jorga
TOFWERK, 3645 Thun, Switzerland
Patrick Sturm
TOFWERK, 3645 Thun, Switzerland
Joel A. Thornton
Department of Atmospheric Sciences, University of Washington, Seattle, WA 98195, USA
Urs Rohner
TOFWERK, 3645 Thun, Switzerland
Felipe Lopez-Hilfiker
CORRESPONDING AUTHOR
TOFWERK, 3645 Thun, Switzerland
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EGUsphere, https://doi.org/10.5194/egusphere-2025-6310, https://doi.org/10.5194/egusphere-2025-6310, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
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Urban air contains reactive gases that can form organic nitrate particles and carry nitrogen oxides pollution far from cities. We recreated urban emissions in a large atmospheric chamber and observed their reactions under day and night conditions. We found that these emissions form organic nitrate particles similar to those from natural sources, with higher amounts and heavier particles at night, making nitrogen pollution longer lived and likely to travel further before depositing on ecosystems.
Austin D. Dobrecevich, Felipe Lopez-Hilfiker, Chris J. Wright, Urs Rohner, and Joel A. Thornton
EGUsphere, https://doi.org/10.5194/egusphere-2025-5685, https://doi.org/10.5194/egusphere-2025-5685, 2026
This preprint is open for discussion and under review for Atmospheric Measurement Techniques (AMT).
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A portable, battery-operable mass spectrometer has been developed to probe atmospheric composition. It shows sensitive detection with high time resolution of several atmospheric trace gases relevant to air quality. Operation of the instrument while walking, bicycling, aboard light aircraft, towers, and off-the-grid locations is possible. Deployment across these platforms allows for more routine acquisition of atmospheric chemical composition information across many source types and locations.
Lewis Marden, Marvin D. Shaw, Stephen J. Andrews, Maya Zmajkovic, Phil Rund, Becky Alexander, Joel Thornton, Andrew Peters, and Lucy J. Carpenter
EGUsphere, https://doi.org/10.5194/egusphere-2025-5812, https://doi.org/10.5194/egusphere-2025-5812, 2025
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Hypoiodous acid (HOI) and molecular iodine (I2) are the dominant precursors of reactive gaseous iodine, which plays an important role in the atmospheric oxidative capacity and in aerosol formation. However, difficulties in the quantification of HOI and I2 mean that very few measurements are available. This work describes a novel calibration method for HOI and reports the detection of HOI and I2 in the marine boundary layer using Br- chemical ionisation mass spectrometry.
James Yoon, Kelley C. Wells, Dylan B. Millet, Christian Frankenberg, Suniti Sanghavi, Abigail L. S. Swann, Joel A. Thornton, and Alexander J. Turner
EGUsphere, https://doi.org/10.5194/egusphere-2025-5532, https://doi.org/10.5194/egusphere-2025-5532, 2025
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
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Isoprene is a molecule emitted by trees that is oxidized in the atmosphere within hours. Much of the isoprene globally is emitted in the remote tropics, where we have few direct observations of isoprene. Here, we use new satellite retrievals of isoprene to infer drivers of tropical isoprene variability. Across different regions, isoprene column variability is controlled by different factors, namely changes in emissions or changes in natural nitrogen oxide sources, like soils and fires.
Alfred W. Mayhew, Lauri Franzon, Kelvin H. Bates, Theo Kurtén, Felipe D. Lopez-Hilfiker, Claudia Mohr, Andrew R. Rickard, Joel A. Thornton, and Jessica D. Haskins
Atmos. Chem. Phys., 25, 17027–17046, https://doi.org/10.5194/acp-25-17027-2025, https://doi.org/10.5194/acp-25-17027-2025, 2025
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This work outlines an investigation into an understudied atmospheric chemical reaction pathway with the potential to form particulate pollution that has important impacts on air quality and climate. It suggests that this chemical pathway is responsible for a large fraction of the atmospheric particulate matter observed in tropical forested regions, but also highlights the need for further ambient and lab investigations to inform an accurate representation of this process in atmospheric models.
Joseph O. Palmo, Colette L. Heald, Donald R. Blake, Ilann Bourgeois, Matthew Coggon, Jeff Collett, Frank Flocke, Alan Fried, Georgios Gkatzelis, Samuel Hall, Lu Hu, Jose L. Jimenez, Pedro Campuzano-Jost, I-Ting Ku, Benjamin Nault, Brett Palm, Jeff Peischl, Ilana Pollack, Amy Sullivan, Joel Thornton, Carsten Warneke, Armin Wisthaler, and Lu Xu
Atmos. Chem. Phys., 25, 17107–17124, https://doi.org/10.5194/acp-25-17107-2025, https://doi.org/10.5194/acp-25-17107-2025, 2025
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This study investigates ozone production within wildfire smoke plumes as they age, using both aircraft observations and models. We find that the chemical environment and resulting ozone production within smoke changes as plumes evolve, with implications for climate and public health.
Phil Rund, Ben H. Lee, Siddharth Iyer, Gordon A. Novak, Jake T. Vallow, and Joel A. Thornton
Atmos. Meas. Tech., 18, 6979–6995, https://doi.org/10.5194/amt-18-6979-2025, https://doi.org/10.5194/amt-18-6979-2025, 2025
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We introduce a custom-built chamber (known as an IMR) for use with a Chemical Ionization Mass Spectrometry (CIMS) gas measurement instrument. The IMR shows large improvements compared to previous designs in reducing non-real signal in the instrument, reducing uncertainties for trace gas studies in the laboratory and the field. We characterize this new IMR and demonstrate its use in analyzing air masses of unknown composition during a field campaign, reporting concentrations of important gases.
Linyu Gao, Imad Zgheib, Evangelos Stergiou, Cecilie Carstens, Félix Sari Doré, Michel Dupanloup, Frederic Bourgain, Sébastien Perrier, and Matthieu Riva
Atmos. Meas. Tech., 18, 5087–5101, https://doi.org/10.5194/amt-18-5087-2025, https://doi.org/10.5194/amt-18-5087-2025, 2025
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In this work, we introduce WALL-E, a newly designed wall-free particle evaporator that enables real-time online aerosol analyses while minimizing wall interactions and fragmentation, offering a more accurate and efficient approach to studying aerosol properties. WALL-E provides molecular-level insights into aerosol composition, quantification, and volatility distributions.
Allison R. Moon, Leyang Liu, Xuan Wang, Yuk-Chun Chan, Alyson Fritzmann, Ryan Pound, Amy Lees, Lewis Marden, Mat Evans, Lucy J. Carpenter, Jochen Stutz, Joel A. Thornton, Gordon Novak, Andrew Rollins, Gregory P. Schill, Xu-cheng He, Henning Finkenzeller, Margarita Reza, Rainer Volkamer, Kelvin H. Bates, Alfonso Saiz-Lopez, Anoop S. Mahajan, and Becky Alexander
EGUsphere, https://doi.org/10.5194/egusphere-2025-4725, https://doi.org/10.5194/egusphere-2025-4725, 2025
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Global chemical transport models previously treated aerosols as a sink for reactive iodine (Iy); however, aerosol iodide is also a source of Iy via heterogeneous reactions involving hypohalous acids and halogen nitrates. We implemented this chemistry into GEOS-Chem, in addition to explicitly representing three aerosol iodine types: soluble organic iodine (SOI), iodide, and iodate. We found that aerosol recycling of iodide to form Iy is more than twice as fast as the other Iy sources combined.
Sneha Aggarwal, Priyanka Bansal, Yuwei Wang, Spiro Jorga, Gabrielle Macgregor, Urs Rohner, Thomas Bannan, Matthew Salter, Paul Zieger, Claudia Mohr, and Felipe Lopez-Hilfiker
Atmos. Meas. Tech., 18, 4227–4247, https://doi.org/10.5194/amt-18-4227-2025, https://doi.org/10.5194/amt-18-4227-2025, 2025
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Chemical ionization mass spectrometers used for trace gas analysis can be operated under various conditions, complicating quantitative comparisons. We evaluate sensitivity dependence on a relatively few key instrument parameters and show that when these are held constant, consistent performance is achieved. We show that the maximum sensitivity of a given flow tube reactor across various reagent ion chemistries is a constant, which aids in the quantification of compounds lacking analytical standards.
Carley D. Fredrickson, Scott J. Janz, Lok N. Lamsal, Ursula A. Jongebloed, Joshua L. Laughner, and Joel A. Thornton
Atmos. Meas. Tech., 18, 3669–3689, https://doi.org/10.5194/amt-18-3669-2025, https://doi.org/10.5194/amt-18-3669-2025, 2025
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We present an analysis of high-resolution remote sensing measurements of nitrogen-containing trace gases emitted by wildfires. The measurements were made using an instrument on the NASA ER-2 aircraft in the summer of 2019. We find that time-resolved fire intensity is critical to quantify trace gas emissions over a fire's entire lifespan. These findings have implications for improving air pollution forecasts downwind of wildfires using computer models of atmospheric chemistry and meteorology.
Xinyue Shao, Yaman Liu, Xinyi Dong, Minghuai Wang, Ruochong Xu, Joel A. Thornton, Duseong S. Jo, Man Yue, Wenxiang Shen, Manish Shrivastava, Stephen R. Arnold, and Ken S. Carslaw
EGUsphere, https://doi.org/10.5194/egusphere-2025-1526, https://doi.org/10.5194/egusphere-2025-1526, 2025
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Highly Oxygenated Organic Molecules (HOMs) are key precursors of secondary organic aerosols (SOA). Incorporating the HOMs chemical mechanism into a global climate model allows for a reasonable reproduction of observed HOM characteristics. HOM-SOA constitutes a significant fraction of global SOA, and its distribution and formation pathways exhibit strong sensitivity to uncertainties in autoxidation processes and peroxy radical branching ratios.
Chris J. Wright, Joel A. Thornton, Lyatt Jaeglé, Yang Cao, Yannian Zhu, Jihu Liu, Randall Jones II, Robert Holzworth, Daniel Rosenfeld, Robert Wood, Peter Blossey, and Daehyun Kim
Atmos. Chem. Phys., 25, 2937–2946, https://doi.org/10.5194/acp-25-2937-2025, https://doi.org/10.5194/acp-25-2937-2025, 2025
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Aerosol particles influence clouds, which exert a large forcing on solar radiation and freshwater. To better understand the mechanisms by which aerosol influences thunderstorms, we look at the two busiest shipping lanes in the world, where recent regulations have reduced sulfur emissions by nearly an order of magnitude. We find that the reduction in emissions has been accompanied by a dramatic decrease in both lightning and the number of droplets in clouds over the shipping lanes.
Michael F. Link, Megan S. Claflin, Christina E. Cecelski, Ayomide A. Akande, Delaney Kilgour, Paul A. Heine, Matthew Coggon, Chelsea E. Stockwell, Andrew Jensen, Jie Yu, Han N. Huynh, Jenna C. Ditto, Carsten Warneke, William Dresser, Keighan Gemmell, Spiro Jorga, Rileigh L. Robertson, Joost de Gouw, Timothy Bertram, Jonathan P. D. Abbatt, Nadine Borduas-Dedekind, and Dustin Poppendieck
Atmos. Meas. Tech., 18, 1013–1038, https://doi.org/10.5194/amt-18-1013-2025, https://doi.org/10.5194/amt-18-1013-2025, 2025
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Proton-transfer-reaction mass spectrometry (PTR-MS) is widely used for the measurement of volatile organic compounds (VOCs) both indoors and outdoors. An analytical challenge for PTR-MS measurements is the formation of unintended measurement interferences, product ion distributions (PIDs), that may appear in the data as VOCs of interest. We developed a method for quantifying PID formation and use interlaboratory comparison data to put quantitative constraints on PID formation.
Delaney B. Kilgour, Christopher M. Jernigan, Olga Garmash, Sneha Aggarwal, Shengqian Zhou, Claudia Mohr, Matt E. Salter, Joel A. Thornton, Jian Wang, Paul Zieger, and Timothy H. Bertram
Atmos. Chem. Phys., 25, 1931–1947, https://doi.org/10.5194/acp-25-1931-2025, https://doi.org/10.5194/acp-25-1931-2025, 2025
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We report simultaneous measurements of dimethyl sulfide (DMS) and hydroperoxymethyl thioformate (HPMTF) in the eastern North Atlantic. We use an observationally constrained box model to show that cloud loss is the dominant sink of HPMTF in this region over 6 weeks, resulting in large reductions in DMS-derived products that contribute to aerosol formation and growth. Our findings indicate that fast cloud processing of HPMTF must be included in global models to accurately capture the sulfur cycle.
Dandan Li, Dongyu Wang, Lucia Caudillo, Wiebke Scholz, Mingyi Wang, Sophie Tomaz, Guillaume Marie, Mihnea Surdu, Elias Eccli, Xianda Gong, Loic Gonzalez-Carracedo, Manuel Granzin, Joschka Pfeifer, Birte Rörup, Benjamin Schulze, Pekka Rantala, Sébastien Perrier, Armin Hansel, Joachim Curtius, Jasper Kirkby, Neil M. Donahue, Christian George, Imad El-Haddad, and Matthieu Riva
Atmos. Meas. Tech., 17, 5413–5428, https://doi.org/10.5194/amt-17-5413-2024, https://doi.org/10.5194/amt-17-5413-2024, 2024
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Due to the analytical challenges of measuring organic vapors, it remains challenging to identify and quantify organic molecules present in the atmosphere. Here, we explore the performance of the Orbitrap chemical ionization mass spectrometer (CI-Orbitrap) using ammonium ion chemistry. This study shows that ammonium-ion-based chemistry associated with the high mass resolution of the Orbitrap mass analyzer can measure almost all inclusive compounds.
Chuanyang Shen, Xiaoyan Yang, Joel Thornton, John Shilling, Chenyang Bi, Gabriel Isaacman-VanWertz, and Haofei Zhang
Atmos. Chem. Phys., 24, 6153–6175, https://doi.org/10.5194/acp-24-6153-2024, https://doi.org/10.5194/acp-24-6153-2024, 2024
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In this work, a condensed multiphase isoprene oxidation mechanism was developed to simulate isoprene SOA formation from chamber and field studies. Our results show that the measured isoprene SOA mass concentrations can be reasonably reproduced. The simulation results indicate that multifunctional low-volatility products contribute significantly to total isoprene SOA. Our findings emphasize that the pathways to produce these low-volatility species should be considered in models.
Wei Huang, Cheng Wu, Linyu Gao, Yvette Gramlich, Sophie L. Haslett, Joel Thornton, Felipe D. Lopez-Hilfiker, Ben H. Lee, Junwei Song, Harald Saathoff, Xiaoli Shen, Ramakrishna Ramisetty, Sachchida N. Tripathi, Dilip Ganguly, Feng Jiang, Magdalena Vallon, Siegfried Schobesberger, Taina Yli-Juuti, and Claudia Mohr
Atmos. Chem. Phys., 24, 2607–2624, https://doi.org/10.5194/acp-24-2607-2024, https://doi.org/10.5194/acp-24-2607-2024, 2024
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We present distinct molecular composition and volatility of oxygenated organic aerosol particles in different rural, urban, and mountain environments. We do a comprehensive investigation of the relationship between the chemical composition and volatility of oxygenated organic aerosol particles across different systems and environments. This study provides implications for volatility descriptions of oxygenated organic aerosol particles in different model frameworks.
Sophie L. Haslett, David M. Bell, Varun Kumar, Jay G. Slowik, Dongyu S. Wang, Suneeti Mishra, Neeraj Rastogi, Atinderpal Singh, Dilip Ganguly, Joel Thornton, Feixue Zheng, Yuanyuan Li, Wei Nie, Yongchun Liu, Wei Ma, Chao Yan, Markku Kulmala, Kaspar R. Daellenbach, David Hadden, Urs Baltensperger, Andre S. H. Prevot, Sachchida N. Tripathi, and Claudia Mohr
Atmos. Chem. Phys., 23, 9023–9036, https://doi.org/10.5194/acp-23-9023-2023, https://doi.org/10.5194/acp-23-9023-2023, 2023
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In Delhi, some aspects of daytime and nighttime atmospheric chemistry are inverted, and parodoxically, vehicle emissions may be limiting other forms of particle production. This is because the nighttime emissions of nitrogen oxide (NO) by traffic and biomass burning prevent some chemical processes that would otherwise create even more particles and worsen the urban haze.
Siegfried Schobesberger, Emma L. D'Ambro, Lejish Vettikkat, Ben H. Lee, Qiaoyun Peng, David M. Bell, John E. Shilling, Manish Shrivastava, Mikhail Pekour, Jerome Fast, and Joel A. Thornton
Atmos. Meas. Tech., 16, 247–271, https://doi.org/10.5194/amt-16-247-2023, https://doi.org/10.5194/amt-16-247-2023, 2023
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We present a new, highly sensitive technique for measuring atmospheric ammonia, an important trace gas that is emitted mainly by agriculture. We deployed the instrument on an aircraft during research flights over rural Oklahoma. Due to its fast response, we could analyze correlations with turbulent winds and calculate ammonia emissions from nearby areas at 1 to 2 km resolution. We observed high spatial variability and point sources that are not resolved in the US National Emissions Inventory.
Alfred W. Mayhew, Ben H. Lee, Joel A. Thornton, Thomas J. Bannan, James Brean, James R. Hopkins, James D. Lee, Beth S. Nelson, Carl Percival, Andrew R. Rickard, Marvin D. Shaw, Peter M. Edwards, and Jaqueline F. Hamilton
Atmos. Chem. Phys., 22, 14783–14798, https://doi.org/10.5194/acp-22-14783-2022, https://doi.org/10.5194/acp-22-14783-2022, 2022
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Isoprene nitrates are chemical species commonly found in the atmosphere that are important for their impacts on air quality and climate. This paper compares 3 different representations of the chemistry of isoprene nitrates in computational models highlighting cases where the choice of chemistry included has significant impacts on the concentration and composition of the modelled nitrates. Calibration of mass spectrometers is also shown to be an important factor when analysing isoprene nitrates.
Peeyush Khare, Jordan E. Krechmer, Jo E. Machesky, Tori Hass-Mitchell, Cong Cao, Junqi Wang, Francesca Majluf, Felipe Lopez-Hilfiker, Sonja Malek, Will Wang, Karl Seltzer, Havala O. T. Pye, Roisin Commane, Brian C. McDonald, Ricardo Toledo-Crow, John E. Mak, and Drew R. Gentner
Atmos. Chem. Phys., 22, 14377–14399, https://doi.org/10.5194/acp-22-14377-2022, https://doi.org/10.5194/acp-22-14377-2022, 2022
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Ammonium adduct chemical ionization is used to examine the atmospheric abundances of oxygenated volatile organic compounds associated with emissions from volatile chemical products, which are now key contributors of reactive precursors to ozone and secondary organic aerosols in urban areas. The application of this valuable measurement approach in densely populated New York City enables the evaluation of emissions inventories and thus the role these oxygenated compounds play in urban air quality.
Varun Kumar, Stamatios Giannoukos, Sophie L. Haslett, Yandong Tong, Atinderpal Singh, Amelie Bertrand, Chuan Ping Lee, Dongyu S. Wang, Deepika Bhattu, Giulia Stefenelli, Jay S. Dave, Joseph V. Puthussery, Lu Qi, Pawan Vats, Pragati Rai, Roberto Casotto, Rangu Satish, Suneeti Mishra, Veronika Pospisilova, Claudia Mohr, David M. Bell, Dilip Ganguly, Vishal Verma, Neeraj Rastogi, Urs Baltensperger, Sachchida N. Tripathi, André S. H. Prévôt, and Jay G. Slowik
Atmos. Chem. Phys., 22, 7739–7761, https://doi.org/10.5194/acp-22-7739-2022, https://doi.org/10.5194/acp-22-7739-2022, 2022
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Here we present source apportionment results from the first field deployment in Delhi of an extractive electrospray ionization time-of-flight mass spectrometer (EESI-TOF). The EESI-TOF is a recently developed instrument capable of providing uniquely detailed online chemical characterization of organic aerosol (OA), in particular the secondary OA (SOA) fraction. Here, we are able to apportion not only primary OA but also SOA to specific sources, which is performed for the first time in Delhi.
Ruochong Xu, Joel A. Thornton, Ben H. Lee, Yanxu Zhang, Lyatt Jaeglé, Felipe D. Lopez-Hilfiker, Pekka Rantala, and Tuukka Petäjä
Atmos. Chem. Phys., 22, 5477–5494, https://doi.org/10.5194/acp-22-5477-2022, https://doi.org/10.5194/acp-22-5477-2022, 2022
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Monoterpenes are emitted into the atmosphere by vegetation and by the use of certain consumer products. Reactions of monoterpenes in the atmosphere lead to low-volatility products that condense to grow particulate matter or participate in new particle formation and, thus, affect air quality and climate. We use a model of atmospheric chemistry and transport to evaluate the global-scale importance of recent updates to our understanding of monoterpene chemistry in particle formation and growth.
Arto Heitto, Kari Lehtinen, Tuukka Petäjä, Felipe Lopez-Hilfiker, Joel A. Thornton, Markku Kulmala, and Taina Yli-Juuti
Atmos. Chem. Phys., 22, 155–171, https://doi.org/10.5194/acp-22-155-2022, https://doi.org/10.5194/acp-22-155-2022, 2022
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For atmospheric aerosol particles to take part in cloud formation, they need to be at least a few tens of nanometers in diameter. By using a particle condensation model, we investigated how two types of chemical reactions, oligomerization and decomposition, of organic molecules inside the particle may affect the growth of secondary aerosol particles to these sizes. We show that the effect is potentially significant, which highlights the importance of increasing understanding of these processes.
Zachary C. J. Decker, Michael A. Robinson, Kelley C. Barsanti, Ilann Bourgeois, Matthew M. Coggon, Joshua P. DiGangi, Glenn S. Diskin, Frank M. Flocke, Alessandro Franchin, Carley D. Fredrickson, Georgios I. Gkatzelis, Samuel R. Hall, Hannah Halliday, Christopher D. Holmes, L. Gregory Huey, Young Ro Lee, Jakob Lindaas, Ann M. Middlebrook, Denise D. Montzka, Richard Moore, J. Andrew Neuman, John B. Nowak, Brett B. Palm, Jeff Peischl, Felix Piel, Pamela S. Rickly, Andrew W. Rollins, Thomas B. Ryerson, Rebecca H. Schwantes, Kanako Sekimoto, Lee Thornhill, Joel A. Thornton, Geoffrey S. Tyndall, Kirk Ullmann, Paul Van Rooy, Patrick R. Veres, Carsten Warneke, Rebecca A. Washenfelder, Andrew J. Weinheimer, Elizabeth Wiggins, Edward Winstead, Armin Wisthaler, Caroline Womack, and Steven S. Brown
Atmos. Chem. Phys., 21, 16293–16317, https://doi.org/10.5194/acp-21-16293-2021, https://doi.org/10.5194/acp-21-16293-2021, 2021
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To understand air quality impacts from wildfires, we need an accurate picture of how wildfire smoke changes chemically both day and night as sunlight changes the chemistry of smoke. We present a chemical analysis of wildfire smoke as it changes from midday through the night. We use aircraft observations from the FIREX-AQ field campaign with a chemical box model. We find that even under sunlight typical
nighttimechemistry thrives and controls the fate of key smoke plume chemical processes.
Xuan Wang, Daniel J. Jacob, William Downs, Shuting Zhai, Lei Zhu, Viral Shah, Christopher D. Holmes, Tomás Sherwen, Becky Alexander, Mathew J. Evans, Sebastian D. Eastham, J. Andrew Neuman, Patrick R. Veres, Theodore K. Koenig, Rainer Volkamer, L. Gregory Huey, Thomas J. Bannan, Carl J. Percival, Ben H. Lee, and Joel A. Thornton
Atmos. Chem. Phys., 21, 13973–13996, https://doi.org/10.5194/acp-21-13973-2021, https://doi.org/10.5194/acp-21-13973-2021, 2021
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Halogen radicals have a broad range of implications for tropospheric chemistry, air quality, and climate. We present a new mechanistic description and comprehensive simulation of tropospheric halogens in a global 3-D model and compare the model results with surface and aircraft measurements. We find that halogen chemistry decreases the global tropospheric burden of ozone by 11 %, NOx by 6 %, and OH by 4 %.
Letizia Abis, Carmen Kalalian, Bastien Lunardelli, Tao Wang, Liwu Zhang, Jianmin Chen, Sébastien Perrier, Benjamin Loubet, Raluca Ciuraru, and Christian George
Atmos. Chem. Phys., 21, 12613–12629, https://doi.org/10.5194/acp-21-12613-2021, https://doi.org/10.5194/acp-21-12613-2021, 2021
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Biogenic volatile organic compound (BVOC) emissions from rapeseed leaf litter have been investigated by means of a controlled atmospheric simulation chamber. The diversity of emitted VOCs increased also in the presence of UV light irradiation. SOA formation was observed when leaf litter was exposed to both UV light and ozone, indicating a potential contribution to particle formation or growth at local scales.
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
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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.
Yandong Tong, Veronika Pospisilova, Lu Qi, Jing Duan, Yifang Gu, Varun Kumar, Pragati Rai, Giulia Stefenelli, Liwei Wang, Ying Wang, Haobin Zhong, Urs Baltensperger, Junji Cao, Ru-Jin Huang, André S. H. Prévôt, and Jay G. Slowik
Atmos. Chem. Phys., 21, 9859–9886, https://doi.org/10.5194/acp-21-9859-2021, https://doi.org/10.5194/acp-21-9859-2021, 2021
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We investigate SOA sources and formation processes by a field deployment of the EESI-TOF-MS and L-TOF AMS in Beijing in late autumn and early winter. Our study shows that the sources and processes giving rise to haze events in Beijing are variable and seasonally dependent: (1) in the heating season, SOA formation is driven by oxidation of aromatics from solid fuel combustion; and (2) under high-NOx and RH conditions, aqueous-phase chemistry can be a major contributor to SOA formation.
Runlong Cai, Yihao Li, Yohann Clément, Dandan Li, Clément Dubois, Marlène Fabre, Laurence Besson, Sebastien Perrier, Christian George, Mikael Ehn, Cheng Huang, Ping Yi, Yingge Ma, and Matthieu Riva
Atmos. Meas. Tech., 14, 2377–2387, https://doi.org/10.5194/amt-14-2377-2021, https://doi.org/10.5194/amt-14-2377-2021, 2021
Short summary
Short summary
Orbitool is an open-source software tool, mainly coded in Python, with a graphical user interface (GUI), specifically developed to facilitate the analysis of online Orbitrap mass spectrometric data. It is notably optimized for long-term atmospheric measurements and laboratory studies.
Cited articles
Berndt, T., Richters, S., Kaethner, R., Voigtlander, J., Stratmann, F., Sipila, M., Kulmala, M., and Herrmann, H.: Gas-Phase Ozonolysis of Cycloalkenes: Formation of Highly Oxidized RO2 Radicals and Their Reactions with NO, NO2, SO2, and Other RO2 Radicals, J. Phys. Chem. A, 119, 10336–10348, https://doi.org/10.1021/acs.jpca.5b07295, 2015.
Berndt, T., Herrmann, H., and Kurten, T.: Direct Probing of Criegee Intermediates from Gas-Phase Ozonolysis Using Chemical Ionization Mass Spectrometry, J. Am. Chem. Soc., 139, 13387–13392, https://doi.org/10.1021/jacs.7b05849, 2017.
Berndt, T., Mentler, B., Scholz, W., Fischer, L., Herrmann, H., Kulmala, M., and Hansel, A.: Accretion Product Formation from Ozonolysis and OH Radical Reaction of alpha-Pinene: Mechanistic Insight and the Influence of Isoprene and Ethylene, Environ. Sci. Technol., 52, 11069–11077, https://doi.org/10.1021/acs.est.8b02210, 2018.
Bertram, T. H., Kimmel, J. R., Crisp, T. A., Ryder, O. S., Yatavelli, R. L. N., Thornton, J. A., Cubison, M. J., Gonin, M., and Worsnop, D. R.: A field-deployable, chemical ionization time-of-flight mass spectrometer, Atmos. Meas. Tech., 4, 1471–1479, https://doi.org/10.5194/amt-4-1471-2011, 2011.
Bianchi, F., Kurten, T., Riva, M., Mohr, C., Rissanen, M. P., Roldin, P., Berndt, T., Crounse, J. D., Wennberg, P. O., Mentel, T. F., Wildt, J., Junninen, H., Jokinen, T., Kulmala, M., Worsnop, D. R., Thornton, J. A., Donahue, N., Kjaergaard, H. G., and Ehn, M.: Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol, Chem. Rev., 119, 3472–3509, https://doi.org/10.1021/acs.chemrev.8b00395, 2019.
Breitenlechner, M., Fischer, L., Hainer, M., Heinritzi, M., Curtius, J., and Hansel, A.: PTR3: An Instrument for Studying the Lifecycle of Reactive Organic Carbon in the Atmosphere, Anal. Chem., 89, 5824–5831, https://doi.org/10.1021/acs.analchem.6b05110, 2017.
Breitenlechner, M., Novak, G. A., Neuman, J. A., Rollins, A. W., and Veres, P. R.: A versatile vacuum ultraviolet ion source for reduced pressure bipolar chemical ionization mass spectrometry, Atmos. Meas. Tech., 15, 1159–1169, https://doi.org/10.5194/amt-15-1159-2022, 2022.
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Canaval, E., Hyttinen, N., Schmidbauer, B., Fischer, L., and Hansel, A.: NH
Crounse, J. D., Nielsen, L. B., Jørgensen, S., Kjaergaard, H. G., and Wennberg, P. O.: Autoxidation of Organic Compounds in the Atmosphere, J. Phys. Chem. Lett., 4, 3513–3520, https://doi.org/10.1021/jz4019207, 2013.
Donahue, N. M., Epstein, S. A., Pandis, S. N., and Robinson, A. L.: A two-dimensional volatility basis set: 1. organic-aerosol mixing thermodynamics, Atmos. Chem. Phys., 11, 3303–3318, https://doi.org/10.5194/acp-11-3303-2011, 2011.
Dong, F., Li, H., Liu, B., Liu, R., and Hou, K.: Protonated acetone ion chemical ionization time-of-flight mass spectrometry for real-time measurement of atmospheric ammonia, J. Environ. Sci., 14, 66–74, https://doi.org/10.1016/j.jes.2021.07.023, 2022.
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Eisele, F. L. and Tanner, D. J.: Measurement of the gas phase concentration of H2SO4 and methane sulfonic acid and estimates of H2SO4 production and loss in the atmosphere, J. Geophys. Res.-Atmos., 98, 9001–9010, https://doi.org/10.1029/93JD00031, 1993.
Hallquist, M., Wenger, J. C., Baltensperger, U., Rudich, Y., Simpson, D., Claeys, M., Dommen, J., Donahue, N. M., George, C., Goldstein, A. H., Hamilton, J. F., Herrmann, H., Hoffmann, T., Iinuma, Y., Jang, M., Jenkin, M. E., Jimenez, J. L., Kiendler-Scharr, A., Maenhaut, W., McFiggans, G., Mentel, Th. F., Monod, A., Prévôt, A. S. H., Seinfeld, J. H., Surratt, J. D., Szmigielski, R., and Wildt, J.: The formation, properties and impact of secondary organic aerosol: current and emerging issues, Atmos. Chem. Phys., 9, 5155–5236, https://doi.org/10.5194/acp-9-5155-2009, 2009.
Hansel, A., Scholz, W., Mentler, B., Fischer, L., and Berndt, T.: Detection of RO2 radicals and other products from cyclohexene ozonolysis with NH
Isaacman-VanWertz, G., Massoli, P., O'Brien, R., Lim, C., Franklin, J. P., Moss, J. A., Hunter, J. F., Nowak, J. B., Canagaratna, M. R., Misztal, P. K., Arata, C., Roscioli, J. R., Herndon, S. T., Onasch, T. B., Lambe, A. T., Jayne, J. T., Su, L., Knopf, D. A., Goldstein, A. H., Worsnop, D. R., and Kroll, J. H.: Chemical evolution of atmospheric organic carbon over multiple generations of oxidation, Nat. Chem., 10, 462–468, https://doi.org/10.1038/s41557-018-0002-2, 2018.
Ji, Y., Huey, L. G., Tanner, D. J., Lee, Y. R., Veres, P. R., Neuman, J. A., Wang, Y., and Wang, X.: A vacuum ultraviolet ion source (VUV-IS) for iodide–chemical ionization mass spectrometry: a substitute for radioactive ion sources, Atmos. Meas. Tech., 13, 3683–3696, https://doi.org/10.5194/amt-13-3683-2020, 2020.
Kim, M. J., Zoerb, M. C., Campbell, N. R., Zimmermann, K. J., Blomquist, B. W., Huebert, B. J., and Bertram, T. H.: Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds, Atmos. Meas. Tech., 9, 1473–1484, https://doi.org/10.5194/amt-9-1473-2016, 2016.
Krechmer, J., Lopez-Hilfiker, F., Koss, A., Hutterli, M., Stoermer, C., Deming, B., Kimmel, J., Warneke, C., Holzinger, R., Jayne, J. T., Worsnop, D. R., Fuhrer, K., Gonin, M., and de Gouw, J. A.: Evaluation of a New Reagent-Ion Source and Focusing Ion-Molecule Reactor for use in Proton-Transfer-Reaction Mass Spectrometry, Anal. Chem., 90, 12011–12018, https://doi.org/10.1021/acs.analchem.8b02641, 2018.
Lavi, A., Vermeuel, M. P., Novak, G. A., and Bertram, T. H.: The sensitivity of benzene cluster cation chemical ionization mass spectrometry to select biogenic terpenes, Atmos. Meas. Tech., 11, 3251–3262, https://doi.org/10.5194/amt-11-3251-2018, 2018.
Lee, B. H., Lopez-Hilfiker, F. D., Mohr, C., Kurten, T., Worsnop, D. R., and Thornton, J. A.: An iodide-adduct high-resolution time-of-flight chemical-ionization mass spectrometer: application to atmospheric inorganic and organic compounds, Environ. Sci. Technol., 48, 6309–6317, https://doi.org/10.1021/es500362a, 2014.
Lee, B. H., Lopez-Hilfiker, F. D., Veres, P. R., McDuffie, E. E., Fibiger, D. L., Sparks, T. M., Ebben, C. J., Green, J. R., Schroder, J. C., Campuzano-Jost, P., Iyer, S., D'Ambro, E. A., Schobesberger, S., Brown, S. S., Wooldridge, P. J., Cohen, R. C., Fiddler, M. N., Bililign, S., Jimenez, J. L., Kurtén, T., Weinheimer, A. J., Jaegle, L., and Thornton, J. A.: Flight Deployment of a High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer: Observations of Reactive Halogen and Nitrogen Oxide Species, J. Geophys. Res.-Atmos., 123, 7670–7686, https://doi.org/10.1029/2017JD028082, 2018.
Li, Y., Pöschl, U., and Shiraiwa, M.: Molecular corridors and parameterizations of volatility in the chemical evolution of organic aerosols, Atmos. Chem. Phys., 16, 3327–3344, https://doi.org/10.5194/acp-16-3327-2016, 2016.
Li, D., Wang, D., Caudillo, L., Scholz, W., Wang, M., Tomaz, S., Marie, G., Surdu, M., Eccli, E., Gong, X., Gonzalez-Carracedo, L., Granzin, M., Pfeifer, J., Rörup, B., Schulze, B., Rantala, P., Perrier, S., Hansel, A., Curtius, J., Kirkby, J., Donahue, N. M., George, C., El-Haddad, I., and Riva, M.: Ammonium CI-Orbitrap: a tool for characterizing the reactivity of oxygenated organic molecules, Atmos. Meas. Tech. Discuss. [preprint], https://doi.org/10.5194/amt-2023-149, in review, 2023.
Lopez-Hilfiker, F. D., Iyer, S., Mohr, C., Lee, B. H., D'Ambro, E. L., Kurtén, T., and Thornton, J. A.: Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts, Atmos. Meas. Tech., 9, 1505–1512, https://doi.org/10.5194/amt-9-1505-2016, 2016.
Mazzucotelli, M., Farneti, B., Khomenko, I., Gonzalez-Estanol, K., Pedrotti, M., Fragasso, M., Capozzi, V., and Biasioli, F.: Proton transfer reaction mass spectrometry: A green alternative for food volatilome profiling, Green Analytical Chemistry, 3, 100041, https://doi.org/10.1016/j.greeac.2022.100041, 2022.
Morris, M. A., Pagonis, D., Day, D. A., de Gouw, J. A., Ziemann, P. J., and Jimenez, J. L.: Absorption of volatile organic compounds (VOCs) by polymer tubing: implications for indoor air and use as a simple gas-phase volatility separation technique, Atmos. Meas. Tech., 17, 1545–1559, https://doi.org/10.5194/amt-17-1545-2024, 2024.
Palm, B. B., Liu, X., Jimenez, J. L., and Thornton, J. A.: Performance of a new coaxial ion–molecule reaction region for low-pressure chemical ionization mass spectrometry with reduced instrument wall interactions, Atmos. Meas. Tech., 12, 5829–5844, https://doi.org/10.5194/amt-12-5829-2019, 2019
Pfeifer, J., Simon, M., Heinritzi, M., Piel, F., Weitz, L., Wang, D., Granzin, M., Müller, T., Bräkling, S., Kirkby, J., Curtius, J., and Kürten, A.: Measurement of ammonia, amines and iodine compounds using protonated water cluster chemical ionization mass spectrometry, Atmos. Meas. Tech., 13, 2501–2522, https://doi.org/10.5194/amt-13-2501-2020, 2020.
Reinecke, T., Leiminger, M., Jordan, A., Wisthaler, A., and Müller, M.: Ultrahigh Sensitivity PTR-MS Instrument with a Well-Defined Ion Chemistry, Anal. Chem., 95, 11879–11884, https://doi.org/10.1021/acs.analchem.3c02669, 2023.
Rissanen, M. P., Mikkilä, J., Iyer, S., and Hakala, J.: Multi-scheme chemical ionization inlet (MION) for fast switching of reagent ion chemistry in atmospheric pressure chemical ionization mass spectrometry (CIMS) applications, Atmos. Meas. Tech., 12, 6635–6646, https://doi.org/10.5194/amt-12-6635-2019, 2019.
Riva, M., Rantala, P., Krechmer, J. E., Peräkylä, O., Zhang, Y., Heikkinen, L., Garmash, O., Yan, C., Kulmala, M., Worsnop, D., and Ehn, M.: Evaluating the performance of five different chemical ionization techniques for detecting gaseous oxygenated organic species, Atmos. Meas. Tech., 12, 2403–2421, https://doi.org/10.5194/amt-12-2403-2019, 2019.
Schobesberger, S., D'Ambro, E. L., Vettikkat, L., Lee, B. H., Peng, Q., Bell, D. M., Shilling, J. E., Shrivastava, M., Pekour, M., Fast, J., and Thornton, J. A.: Airborne flux measurements of ammonia over the southern Great Plains using chemical ionization mass spectrometry, Atmos. Meas. Tech., 16, 247–271, https://doi.org/10.5194/amt-16-247-2023, 2023.
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Vasquez, K. T., Allen, H. M., Crounse, J. D., Praske, E., Xu, L., Noelscher, A. C., and Wennberg, P. O.: Low-pressure gas chromatography with chemical ionization mass spectrometry for quantification of multifunctional organic compounds in the atmosphere, Atmos. Meas. Tech., 11, 6815–6832, https://doi.org/10.5194/amt-11-6815-2018, 2018.
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Ye, C., Yuan, B., Lin, Y., Wang, Z., Hu, W., Li, T., Chen, W., Wu, C., Wang, C., Huang, S., Qi, J., Wang, B., Wang, C., Song, W., Wang, X., Zheng, E., Krechmer, J. E., Ye, P., Zhang, Z., Wang, X., Worsnop, D. R., and Shao, M.: Chemical characterization of oxygenated organic compounds in the gas phase and particle phase using iodide CIMS with FIGAERO in urban air, Atmos. Chem. Phys., 21, 8455–8478, https://doi.org/10.5194/acp-21-8455-2021, 2021.
Yuan, B., Koss, A. R., Warneke, C., Coggon, M., Sekimoto, K., and de Gouw, J. A.: Proton-Transfer-Reaction Mass Spectrometry: Applications in Atmospheric Sciences, Chem. Rev., 117, 13187–13229, https://doi.org/10.1021/acs.chemrev.7b00325, 2017.
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Short summary
We present a newly designed reduced-pressure chemical ionization reactor for detection of gas-phase organic and inorganic species. The system operates through the combined use of vacuum ultraviolet ionization and photosensitizers to generate numerous adduct ionization schemes. As a result, it offers the ability to simultaneously measure a wide variety of organic and inorganic species in terms of compound volatility and functionality, while being largely independent of changes in sample humidity.
We present a newly designed reduced-pressure chemical ionization reactor for detection of...
