Articles | Volume 24, issue 6
https://doi.org/10.5194/acp-24-3593-2024
© 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/acp-24-3593-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
22 Mar 2024
Research article |
| 22 Mar 2024
| 22 Mar 2024
Organosulfate produced from consumption of SO3 speeds up sulfuric acid–dimethylamine atmospheric nucleation
Xiaomeng Zhang
MOE Key Laboratory of Laser Life Science & Guangdong Provincial Key Laboratory of Laser Life Science & Guangzhou Key Laboratory of Spectral Analysis and Functional Probes, College of Biophotonics, South China Normal University, Guangzhou 510631, China
Yongjian Lian
MOE Key Laboratory of Laser Life Science & Guangdong Provincial Key Laboratory of Laser Life Science & Guangzhou Key Laboratory of Spectral Analysis and Functional Probes, College of Biophotonics, South China Normal University, Guangzhou 510631, China
Shendong Tan
MOE Key Laboratory of Laser Life Science & Guangdong Provincial Key Laboratory of Laser Life Science & Guangzhou Key Laboratory of Spectral Analysis and Functional Probes, College of Biophotonics, South China Normal University, Guangzhou 510631, China
Shi Yin
CORRESPONDING AUTHOR
MOE Key Laboratory of Laser Life Science & Guangdong Provincial Key Laboratory of Laser Life Science & Guangzhou Key Laboratory of Spectral Analysis and Functional Probes, College of Biophotonics, South China Normal University, Guangzhou 510631, China
Related subject area
Subject: Gases | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Contribution of expanded marine sulfur chemistry to the seasonal variability of dimethyl sulfide oxidation products and size-resolved sulfate aerosol
Spatial disparities of ozone pollution in the Sichuan Basin spurred by extreme, hot weather
Global impacts of aviation on air quality evaluated at high resolution
Bias correction of OMI HCHO columns based on FTIR and aircraft measurements and impact on top-down emission estimates
Investigation of the renewed methane growth post-2007 with high-resolution 3-D variational inverse modeling and isotopic constraints
Revisiting day-of-week ozone patterns in an era of evolving US air quality
Air quality and radiative impacts of downward-propagating sudden stratospheric warmings (SSWs)
Estimation of the atmospheric hydroxyl radical oxidative capacity using multiple hydrofluorocarbons (HFCs)
Investigating the differences in calculating global mean surface CO2 abundance: the impact of analysis methodologies and site selection
Meteorological characteristics of extreme ozone pollution events in China and their future predictions
Evaluating modelled tropospheric columns of CH4, CO, and O3 in the Arctic using ground-based Fourier transform infrared (FTIR) measurements
The high-resolution Global Aviation emissions Inventory based on ADS-B (GAIA) for 2019–2021
Zonal variability of methane trends derived from satellite data
Weekly derived top-down volatile-organic-compound fluxes over Europe from TROPOMI HCHO data from 2018 to 2021
Current status of model predictions of volatile organic compounds and impacts on surface ozone predictions during summer in China
Utility of Geostationary Lightning Mapper-derived lightning NO emission estimates in air quality modeling studies
The suitability of atmospheric oxygen measurements to constrain western European fossil-fuel CO2 emissions and their trends
Future tropospheric ozone budget and distribution over east Asia under a net-zero scenario
Comprehensive multiphase chlorine chemistry in the box model CAABA/MECCA: implications for atmospheric oxidative capacity
MIXv2: a long-term mosaic emission inventory for Asia (2010–2017)
Insights into soil NO emissions and the contribution to surface ozone formation in China
Development, intercomparison, and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model
A better representation of VOC chemistry in WRF-Chem and its impact on ozone over Los Angeles
The atmospheric oxidizing capacity in China – Part 1: Roles of different photochemical processes
Benefits of net-zero policies for future ozone pollution in China
Simulating impacts on UK air quality from net-zero forest planting scenarios
Understanding offshore high-ozone events during TRACER-AQ 2021 in Houston: insights from WRF–CAMx photochemical modeling
Opinion: Establishing a science-into-policy process for tropospheric ozone assessment
Atmospheric composition and climate impacts of a future hydrogen economy
Assessment of isoprene and near-surface ozone sensitivities to water stress over the Euro-Mediterranean region
Nighttime ozone in the lower boundary layer: insights from 3-year tower-based measurements in South China and regional air quality modeling
What controls ozone sensitivity in the upper tropical troposphere?
The CO anthropogenic emissions in Europe from 2011 to 2021: insights from the MOPITT satellite data
Summertime tropospheric ozone source apportionment study in Madrid (Spain)
Modelling the impacts of emission changes on O3 sensitivity, atmospheric oxidation capacity, and pollution transport over the Catalonia region
A regional modelling study of halogen chemistry within a volcanic plume of Mt Etna's Christmas 2018 eruption
Analysis of an intense O3 pollution episode in the Atlantic Coast of the Iberian Peninsula using photochemical modelling: characterization of transport pathways and accumulation processes
Constraining the budget of atmospheric carbonyl sulfide using a 3-D chemical transport model
Atmospheric CO2 inversion reveals the Amazon as a minor carbon source caused by fire emissions, with forest uptake offsetting about half of these emissions
Rapid O3 assimilations – Part 2: Tropospheric O3 changes accompanied by declining NOx emissions in the USA and Europe in 2005–2020
High-resolution air quality simulations of ozone exceedance events during the Lake Michigan Ozone Study
Simulations of winter ozone in the Upper Green River basin, Wyoming, using WRF-Chem
Measurement report: Assessment of Asian emissions of ethane and propane with a chemistry transport model based on observations from the island of Hateruma
Sensitivity of northeastern US surface ozone predictions to the representation of atmospheric chemistry in the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMMv1.0)
Daytime isoprene nitrates under changing NOx and O3
Atmospheric data support a multi-decadal shift in the global methane budget towards natural tropical emissions
Air quality and related health impact in the UNECE region: source attribution and scenario analysis
East Asian methane emissions inferred from high-resolution inversions of GOSAT and TROPOMI observations: a comparative and evaluative analysis
Towards near-real-time air pollutant and greenhouse gas emissions: lessons learned from multiple estimates during the COVID-19 pandemic
Constraining Long-Term NOx Emissions over the United States and Europe using Nitrate Wet Deposition Monitoring Networks
Linia Tashmim, William C. Porter, Qianjie Chen, Becky Alexander, Charles H. Fite, Christopher D. Holmes, Jeffrey R. Pierce, Betty Croft, and Sakiko Ishino
Atmos. Chem. Phys., 24, 3379–3403, https://doi.org/10.5194/acp-24-3379-2024, https://doi.org/10.5194/acp-24-3379-2024, 2024
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Dimethyl sulfide (DMS) is mostly emitted from ocean surfaces and represents the largest natural source of sulfur for the atmosphere. Once in the atmosphere, DMS forms stable oxidation products such as SO2 and H2SO4, which can subsequently contribute to airborne particle formation and growth. In this study, we update the DMS oxidation mechanism in the chemical transport model GEOS-Chem and describe resulting changes in particle growth as well as the overall global sulfur budget.
Nan Wang, Yunsong Du, Dongyang Chen, Haiyan Meng, Xi Chen, Li Zhou, Guangming Shi, Yu Zhan, Miao Feng, Wei Li, Mulan Chen, Zhenliang Li, and Fumo Yang
Atmos. Chem. Phys., 24, 3029–3042, https://doi.org/10.5194/acp-24-3029-2024, https://doi.org/10.5194/acp-24-3029-2024, 2024
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In the scorching August 2022 heatwave, China's Sichuan Basin saw a stark contrast in ozone (O3) levels between Chengdu and Chongqing. The regional disparities were studied considering meteorology, precursors, photochemistry, and transportation. The study highlighted the importance of tailored pollution control measures and underlined the necessity for region-specific strategies to combat O3 pollution on a regional scale.
Sebastian D. Eastham, Guillaume P. Chossière, Raymond L. Speth, Daniel J. Jacob, and Steven R. H. Barrett
Atmos. Chem. Phys., 24, 2687–2703, https://doi.org/10.5194/acp-24-2687-2024, https://doi.org/10.5194/acp-24-2687-2024, 2024
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Emissions from aircraft are known to cause air quality impacts worldwide, but the scale and mechanisms of this impact are not well understood. This work uses high-resolution computational modeling of the atmosphere to show that air pollution changes from aviation are mostly the result of emissions during cruise (high-altitude) operations, that these impacts are related to how much non-aviation pollution is present, and that prior regional assessments have underestimated these impacts.
Jean-François Müller, Trissevgeni Stavrakou, Glenn-Michael Oomen, Beata Opacka, Isabelle De Smedt, Alex Guenther, Corinne Vigouroux, Bavo Langerock, Carlos Augusto Bauer Aquino, Michel Grutter, James Hannigan, Frank Hase, Rigel Kivi, Erik Lutsch, Emmanuel Mahieu, Maria Makarova, Jean-Marc Metzger, Isamu Morino, Isao Murata, Tomoo Nagahama, Justus Notholt, Ivan Ortega, Mathias Palm, Amelie Röhling, Wolfgang Stremme, Kimberly Strong, Ralf Sussmann, Yao Té, and Alan Fried
Atmos. Chem. Phys., 24, 2207–2237, https://doi.org/10.5194/acp-24-2207-2024, https://doi.org/10.5194/acp-24-2207-2024, 2024
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Formaldehyde observations from satellites can be used to constrain the emissions of volatile organic compounds, but those observations have biases. Using an atmospheric model, aircraft and ground-based remote sensing data, we quantify these biases, propose a correction to the data, and assess the consequence of this correction for the evaluation of emissions.
Joël Thanwerdas, Marielle Saunois, Antoine Berchet, Isabelle Pison, and Philippe Bousquet
Atmos. Chem. Phys., 24, 2129–2167, https://doi.org/10.5194/acp-24-2129-2024, https://doi.org/10.5194/acp-24-2129-2024, 2024
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We investigate the causes of the renewed growth of atmospheric methane (CH4) after 2007 using inverse modeling. We use the additional information provided by observations of CH4 isotopic compositions to better differentiate between the emission categories. Accounting for the large uncertainties in source signatures, our results suggest that the post-2007 increase in atmospheric CH4 was caused by similar increases in emissions from (1) fossil fuels and (2) agriculture and waste.
Heather Simon, Christian Hogrefe, Andrew Whitehill, Kristen M. Foley, Jennifer Liljegren, Norm Possiel, Benjamin Wells, Barron H. Henderson, Lukas C. Valin, Gail Tonnesen, K. Wyat Appel, and Shannon Koplitz
Atmos. Chem. Phys., 24, 1855–1871, https://doi.org/10.5194/acp-24-1855-2024, https://doi.org/10.5194/acp-24-1855-2024, 2024
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We assess observed and modeled ozone weekend–weekday differences in the USA from 2002–2019. A subset of urban areas that were NOx-saturated at the beginning of the period transitioned to NOx-limited conditions. Multiple rural areas of California were NOx-limited for the entire period but become less influenced by local day-of-week emission patterns in more recent years. The model produces more NOx-saturated conditions than the observations but captures trends in weekend–weekday ozone patterns.
Ryan S. Williams, Michaela I. Hegglin, Patrick Jöckel, Hella Garny, and Keith P. Shine
Atmos. Chem. Phys., 24, 1389–1413, https://doi.org/10.5194/acp-24-1389-2024, https://doi.org/10.5194/acp-24-1389-2024, 2024
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During winter, a brief but abrupt reversal of the mean stratospheric westerly flow (~30 km high) around the Arctic occurs ~6 times a decade. Using a chemistry–climate model, about half of these events are shown to induce large anomalies in Arctic ozone (>25 %) and water vapour (>±25 %) around ~8–12 km altitude for up to 2–3 months, important for weather forecasting. We also calculate a doubling to trebling of the risk in breaches of mid-latitude surface air quality (ozone) standards (~60 ppbv).
Rona L. Thompson, Stephen A. Montzka, Martin K. Vollmer, Jgor Arduini, Molly Crotwell, Paul B. Krummel, Chris Lunder, Jens Mühle, Simon O'Doherty, Ronald G. Prinn, Stefan Reimann, Isaac Vimont, Hsiang Wang, Ray F. Weiss, and Dickon Young
Atmos. Chem. Phys., 24, 1415–1427, https://doi.org/10.5194/acp-24-1415-2024, https://doi.org/10.5194/acp-24-1415-2024, 2024
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The hydroxyl radical determines the atmospheric lifetimes of numerous species including methane. Since OH is very short-lived, it is not possible to directly measure its concentration on scales relevant for understanding its effect on other species. Here, OH is inferred by looking at changes in hydrofluorocarbons (HFCs). We find that OH levels have been fairly stable over our study period (2004 to 2021), suggesting that OH is not the main driver of the recent increase in atmospheric methane.
Zhendong Wu, Alex Vermeulen, Yousuke Sawa, Ute Karstens, Wouter Peters, Remco de Kok, Xin Lan, Yasuyuki Nagai, Akinori Ogi, and Oksana Tarasova
Atmos. Chem. Phys., 24, 1249–1264, https://doi.org/10.5194/acp-24-1249-2024, https://doi.org/10.5194/acp-24-1249-2024, 2024
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This study focuses on exploring the differences in calculating global surface CO2 and its growth rate, considering the impact of analysis methodologies and site selection. Our study reveals that the current global CO2 network has a good capacity to represent global surface CO2 and its growth rate, as well as trends in atmospheric CO2 mass changes. However, small differences exist in different analyses due to the impact of methodology and site selection.
Yang Yang, Yang Zhou, Hailong Wang, Mengyun Li, Huimin Li, Pinya Wang, Xu Yue, Ke Li, Jia Zhu, and Hong Liao
Atmos. Chem. Phys., 24, 1177–1191, https://doi.org/10.5194/acp-24-1177-2024, https://doi.org/10.5194/acp-24-1177-2024, 2024
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This study reveals that extreme ozone pollution over the North China Plain and Yangtze River Delta is due to the chemical production related to hot and dry conditions, and the regional transport explains the ozone pollution over the Sichuan Basin and Pearl River Delta. The frequency of meteorological conditions of the extreme ozone pollution increases from the past to the future. The sustainable scenario is the optimal path to retaining clean air in China in the future.
Victoria A. Flood, Kimberly Strong, Cynthia H. Whaley, Kaley A. Walker, Thomas Blumenstock, James W. Hannigan, Johan Mellqvist, Justus Notholt, Mathias Palm, Amelie N. Röhling, Stephen Arnold, Stephen Beagley, Rong-You Chien, Jesper Christensen, Makoto Deushi, Srdjan Dobricic, Xinyi Dong, Joshua S. Fu, Michael Gauss, Wanmin Gong, Joakim Langner, Kathy S. Law, Louis Marelle, Tatsuo Onishi, Naga Oshima, David A. Plummer, Luca Pozzoli, Jean-Christophe Raut, Manu A. Thomas, Svetlana Tsyro, and Steven Turnock
Atmos. Chem. Phys., 24, 1079–1118, https://doi.org/10.5194/acp-24-1079-2024, https://doi.org/10.5194/acp-24-1079-2024, 2024
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It is important to understand the composition of the Arctic atmosphere and how it is changing. Atmospheric models provide simulations that can inform policy. This study examines simulations of CH4, CO, and O3 by 11 models. Model performance is assessed by comparing results matched in space and time to measurements from five high-latitude ground-based infrared spectrometers. This work finds that models generally underpredict the concentrations of these gases in the Arctic troposphere.
Roger Teoh, Zebediah Engberg, Marc Shapiro, Lynnette Dray, and Marc E. J. Stettler
Atmos. Chem. Phys., 24, 725–744, https://doi.org/10.5194/acp-24-725-2024, https://doi.org/10.5194/acp-24-725-2024, 2024
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Emissions from aircraft contribute to climate change and degrade air quality. We describe an up-to-date 4D emissions inventory of global aviation from 2019 to 2021 based on actual flown trajectories. In 2019, 40.2 million flights collectively travelled 61 billion kilometres using 283 Tg of fuel. Long-haul flights were responsible for 43 % of CO2. The emissions inventory is made available for use in future studies to evaluate the negative externalities arising from global aviation.
Jonas Hachmeister, Oliver Schneising, Michael Buchwitz, John P. Burrows, Justus Notholt, and Matthias Buschmann
Atmos. Chem. Phys., 24, 577–595, https://doi.org/10.5194/acp-24-577-2024, https://doi.org/10.5194/acp-24-577-2024, 2024
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We quantified changes in atmospheric methane concentrations using satellite data and a dynamic linear model approach. We calculated global annual methane increases for the years 2019–2022, which are in good agreement with other sources. For zonal methane growth rates, we identified strong inter-hemispheric differences in 2019 and 2022. For 2022, we could attribute decreases in the global growth rate to the Northern Hemisphere, possibly related to a reduction in anthropogenic emissions.
Glenn-Michael Oomen, Jean-François Müller, Trissevgeni Stavrakou, Isabelle De Smedt, Thomas Blumenstock, Rigel Kivi, Maria Makarova, Mathias Palm, Amelie Röhling, Yao Té, Corinne Vigouroux, Martina M. Friedrich, Udo Frieß, François Hendrick, Alexis Merlaud, Ankie Piters, Andreas Richter, Michel Van Roozendael, and Thomas Wagner
Atmos. Chem. Phys., 24, 449–474, https://doi.org/10.5194/acp-24-449-2024, https://doi.org/10.5194/acp-24-449-2024, 2024
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Natural emissions from vegetation have a profound impact on air quality for their role in the formation of harmful tropospheric ozone and organic aerosols, yet these emissions are highly uncertain. In this study, we quantify emissions of organic gases over Europe using high-quality satellite measurements of formaldehyde. These satellite observations suggest that emissions from vegetation are much higher than predicted by models, especially in southern Europe.
Yongliang She, Jingyi Li, Xiaopu Lyu, Hai Guo, Momei Qin, Xiaodong Xie, Kangjia Gong, Fei Ye, Jianjiong Mao, Lin Huang, and Jianlin Hu
Atmos. Chem. Phys., 24, 219–233, https://doi.org/10.5194/acp-24-219-2024, https://doi.org/10.5194/acp-24-219-2024, 2024
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In this study, we use multi-site volatile organic compound (VOC) measurements to evaluate the CMAQ-model-predicted VOCs and assess the impacts of VOC bias on O3 simulation. Our results demonstrate that current modeling setups and emission inventories are likely to underpredict VOC concentrations, and this underprediction of VOCs contributes to lower O3 predictions in China.
Peiyang Cheng, Arastoo Pour-Biazar, Yuling Wu, Shi Kuang, Richard T. McNider, and William J. Koshak
Atmos. Chem. Phys., 24, 41–63, https://doi.org/10.5194/acp-24-41-2024, https://doi.org/10.5194/acp-24-41-2024, 2024
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Lightning-induced nitrogen monoxide (LNO) emission can be estimated from geostationary satellite observations. The present study uses the LNO emission estimates derived from geostationary satellite observations in an air quality modeling system to investigate the impact of LNO on air quality. Results indicate that significant ozone increase could be due to long-distance chemical transport, lightning activity in the upwind direction, and the mixing of high LNO (or ozone) plumes.
Christian Rödenbeck, Karina E. Adcock, Markus Eritt, Maksym Gachkivskyi, Christoph Gerbig, Samuel Hammer, Armin Jordan, Ralph F. Keeling, Ingeborg Levin, Fabian Maier, Andrew C. Manning, Heiko Moossen, Saqr Munassar, Penelope A. Pickers, Michael Rothe, Yasunori Tohjima, and Sönke Zaehle
Atmos. Chem. Phys., 23, 15767–15782, https://doi.org/10.5194/acp-23-15767-2023, https://doi.org/10.5194/acp-23-15767-2023, 2023
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The carbon dioxide content of the Earth atmosphere is increasing due to human emissions from burning of fossil fuels, causing global climate change. The strength of the fossil-fuel emissions is estimated by inventories based on energy data, but independent validation of these inventories has been recommended by the Intergovernmental Panel on Climate Change. Here we investigate the potential to validate inventories based on measurements of small changes in the atmospheric oxygen content.
Xuewei Hou, Oliver Wild, Bin Zhu, and James Lee
Atmos. Chem. Phys., 23, 15395–15411, https://doi.org/10.5194/acp-23-15395-2023, https://doi.org/10.5194/acp-23-15395-2023, 2023
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In response to the climate crisis, many countries have committed to net zero in a certain future year. The impacts of net-zero scenarios on tropospheric O3 are less well studied and remain unclear. In this study, we quantified the changes of tropospheric O3 budgets, spatiotemporal distributions of future surface O3 in east Asia and regional O3 source contributions for 2060 under a net-zero scenario using the NCAR Community Earth System Model (CESM) and online O3-tagging methods.
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
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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.
Meng Li, Junichi Kurokawa, Qiang Zhang, Jung-Hun Woo, Tazuko Morikawa, Satoru Chatani, Zifeng Lu, Yu Song, Guannan Geng, Hanwen Hu, Jinseok Kim, Owen R. Cooper, and Brian C. McDonald
EGUsphere, https://doi.org/10.5194/egusphere-2023-2283, https://doi.org/10.5194/egusphere-2023-2283, 2023
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In this work, we developed MIXv2, an innovative Asian emission inventory for 2010–2017. With high spatial (0.1 degree) and monthly temporal resolution, MIXv2 integrates anthropogenic and open biomass burning emissions across seven sectors following a mosaic methodology. It provides CO2 emissions data alongside nine key pollutants and three chemical mechanisms. Our publicly accessible gridded monthly emissions data can facilitate long-term atmospheric and climate model analyses.
Ling Huang, Jiong Fang, Jiaqiang Liao, Greg Yarwood, Hui Chen, Yangjun Wang, and Li Li
Atmos. Chem. Phys., 23, 14919–14932, https://doi.org/10.5194/acp-23-14919-2023, https://doi.org/10.5194/acp-23-14919-2023, 2023
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Surface ozone concentrations have emerged as a major environmental issue in China. Although control strategies aimed at reducing NOx emissions from conventional combustion sources are widely recognized, soil NOx emissions have received little attention. The impact of soil NO emissions on ground-level ozone concentration is yet to be evaluated. In this study, we estimated the soil NO emissions and evaluated its impact on ozone formation in China.
Ben A. Cala, Scott Archer-Nicholls, James Weber, N. Luke Abraham, Paul T. Griffiths, Lorrie Jacob, Y. Matthew Shin, Laura E. Revell, Matthew Woodhouse, and Alexander T. Archibald
Atmos. Chem. Phys., 23, 14735–14760, https://doi.org/10.5194/acp-23-14735-2023, https://doi.org/10.5194/acp-23-14735-2023, 2023
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Dimethyl sulfide (DMS) is an important trace gas emitted from the ocean recognised as setting the sulfate aerosol background, but its oxidation is complex. As a result representation in chemistry-climate models is greatly simplified. We develop and compare a new mechanism to existing mechanisms via a series of global and box model experiments. Our studies show our updated DMS scheme is a significant improvement but significant variance exists between mechanisms.
Qindan Zhu, Rebecca H. Schwantes, Matthew Coggon, Colin Harkins, Jordan Schnell, Jian He, Havala O. T. Pye, Meng Li, Barry Baker, Zachary Moon, Ravan Ahmadov, Eva Y. Pfannerstill, Bryan Place, Paul Wooldridge, Benjamin C. Schulze, Caleb Arata, Anthony Bucholtz, John H. Seinfeld, Carsten Warneke, Chelsea E. Stockwell, Lu Xu, Kristen Zuraski, Michael A. Robinson, Andy Neuman, Patrick R. Veres, Jeff Peischl, Steven S. Brown, Allen H. Goldstein, Ronald C. Cohen, and Brian C. McDonald
EGUsphere, https://doi.org/10.5194/egusphere-2023-2742, https://doi.org/10.5194/egusphere-2023-2742, 2023
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Volatile organic compounds (VOCs) fuel the production of air pollutants like ozone and particulate matter. The representation of VOC chemistry remains challenging due to its complexity in speciation and reactions. Here, we develop a chemical mechanism, RACM2B-VCP, that better represent VOCs chemistry in urban areas such as Los Angeles. We also discuss the contribution of VOCs emitted from Volatile Chemical Products and other anthropogenic sources to total VOC reactivity and O3.
Jianing Dai, Guy P. Brasseur, Mihalis Vrekoussis, Maria Kanakidou, Kun Qu, Yijuan Zhang, Hongliang Zhang, and Tao Wang
Atmos. Chem. Phys., 23, 14127–14158, https://doi.org/10.5194/acp-23-14127-2023, https://doi.org/10.5194/acp-23-14127-2023, 2023
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In this study, we used a regional chemical transport model to characterize the different parameters of atmospheric oxidative capacity in recent chemical environments in China. These parameters include the production and destruction rates of ozone and other oxidants, the ozone production efficiency, the OH reactivity, and the length of the reaction chain responsible for the formation of ozone and ROx. They are also affected by the aerosol burden in the atmosphere.
Zhenze Liu, Oliver Wild, Ruth M. Doherty, Fiona M. O'Connor, and Steven T. Turnock
Atmos. Chem. Phys., 23, 13755–13768, https://doi.org/10.5194/acp-23-13755-2023, https://doi.org/10.5194/acp-23-13755-2023, 2023
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We investigate the impact of net-zero policies on surface ozone pollution in China. A chemistry–climate model is used to simulate ozone changes driven by local and external emissions, methane, and warmer climates. A deep learning model is applied to generate more robust ozone projection, and we find that the benefits of net-zero policies may be overestimated with the chemistry–climate model. Nevertheless, it is clear that the policies can still substantially reduce ozone pollution in future.
Gemma Purser, Mathew R. Heal, Edward J. Carnell, Stephen Bathgate, Julia Drewer, James I. L. Morison, and Massimo Vieno
Atmos. Chem. Phys., 23, 13713–13733, https://doi.org/10.5194/acp-23-13713-2023, https://doi.org/10.5194/acp-23-13713-2023, 2023
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Forest expansion is a ″net-zero“ pathway, but change in land cover alters air quality in many ways. This study combines tree planting suitability data with UK measured emissions of biogenic volatile organic compounds to simulate spatial and temporal changes in atmospheric composition for planting scenarios of four species. Decreases in fine particulate matter are relatively larger than increases in ozone, which may indicate a net benefit of tree planting on human health aspects of air quality.
Wei Li, Yuxuan Wang, Xueying Liu, Ehsan Soleimanian, Travis Griggs, James Flynn, and Paul Walter
Atmos. Chem. Phys., 23, 13685–13699, https://doi.org/10.5194/acp-23-13685-2023, https://doi.org/10.5194/acp-23-13685-2023, 2023
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This study examined high offshore ozone events in Galveston Bay and the Gulf of Mexico, using boat data and WRF–CAMx modeling during the TRACER-AQ 2021 field campaign. On average, high ozone is caused by chemistry due to the regional transport of volatile organic compounds and downwind advection of NOx from the ship channel. Two case studies show advection of ozone can be another process leading to high ozone, and accurate wind prediction is crucial for air quality forecasting in coastal areas.
Richard G. Derwent, David D. Parrish, and Ian C. Faloona
Atmos. Chem. Phys., 23, 13613–13623, https://doi.org/10.5194/acp-23-13613-2023, https://doi.org/10.5194/acp-23-13613-2023, 2023
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Elevated tropospheric ozone concentrations driven by anthropogenic precursor emissions are a world-wide health and environmental concern; however, this issue lacks a generally accepted understanding of the scientific issues. Here, we briefly outline the elements required to conduct an international assessment process to establish a conceptual model of the underpinning science and motivate international policy forums for regulating ozone production over hemispheric and global scales.
Nicola J. Warwick, Alex T. Archibald, Paul T. Griffiths, James Keeble, Fiona M. O'Connor, John A. Pyle, and Keith P. Shine
Atmos. Chem. Phys., 23, 13451–13467, https://doi.org/10.5194/acp-23-13451-2023, https://doi.org/10.5194/acp-23-13451-2023, 2023
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A chemistry–climate model has been used to explore the atmospheric response to changes in emissions of hydrogen and other species associated with a shift from fossil fuel to hydrogen use. Leakage of hydrogen results in indirect global warming, offsetting greenhouse gas emission reductions from reduced fossil fuel use. To maximise the benefit of hydrogen as an energy source, hydrogen leakage and emissions of methane, carbon monoxide and nitrogen oxides should be minimised.
Susanna Strada, Andrea Pozzer, Graziano Giuliani, Erika Coppola, Fabien Solmon, Xiaoyan Jiang, Alex Guenther, Efstratios Bourtsoukidis, Dominique Serça, Jonathan Williams, and Filippo Giorgi
Atmos. Chem. Phys., 23, 13301–13327, https://doi.org/10.5194/acp-23-13301-2023, https://doi.org/10.5194/acp-23-13301-2023, 2023
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Water deficit modifies emissions of isoprene, an aromatic compound released by plants that influences the production of an air pollutant such as ozone. Numerical modelling shows that, during the warmest and driest summers, isoprene decreases between −20 and −60 % over the Euro-Mediterranean region, while near-surface ozone only diminishes by a few percent. Decreases in isoprene emissions not only happen under dry conditions, but also could occur after prolonged or repeated water deficits.
Guowen He, Cheng He, Haofan Wang, Xiao Lu, Chenglei Pei, Xiaonuan Qiu, Chenxi Liu, Yiming Wang, Nanxi Liu, Jinpu Zhang, Lei Lei, Yiming Liu, Haichao Wang, Tao Deng, Qi Fan, and Shaojia Fan
Atmos. Chem. Phys., 23, 13107–13124, https://doi.org/10.5194/acp-23-13107-2023, https://doi.org/10.5194/acp-23-13107-2023, 2023
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We analyze nighttime ozone in the lower boundary layer (up to 500 m) from the 2017–2019 measurements at the Canton Tower and the WRF-CMAQ model. We identify a strong ability of the residual layer to store daytime ozone in the convective mixing layer, investigate the chemical and meteorological factors controlling nighttime ozone in the residual layer, and quantify the contribution of nighttime ozone in the residual layer to both the nighttime and the following day’s surface ozone air quality.
Clara M. Nussbaumer, Horst Fischer, Jos Lelieveld, and Andrea Pozzer
Atmos. Chem. Phys., 23, 12651–12669, https://doi.org/10.5194/acp-23-12651-2023, https://doi.org/10.5194/acp-23-12651-2023, 2023
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Ozone is a greenhouse gas and contributes to the earth’s radiative energy budget and therefore to global warming. This effect is the largest in the upper troposphere. In this study, we investigate the processes controlling ozone formation and the sensitivity to its precursors in the upper tropical troposphere based on model simulations by the ECHAM5/MESSy2 Atmospheric Chemistry (EMAC) model. We find that NO𝑥 emissions from lightning most importantly affect ozone chemistry at these altitudes.
Audrey Fortems-Cheiney, Gregoire Broquet, Elise Potier, Robin Plauchu, Antoine Berchet, Isabelle Pison, Hugo A. C. Denier van der Gon, and Stijn N. C. Dellaert
EGUsphere, https://doi.org/10.5194/egusphere-2023-1981, https://doi.org/10.5194/egusphere-2023-1981, 2023
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We have estimated the carbon monixide (CO) European emissions from satellite observations of the MOPITT instrument , at the relatively high resolution of 0.5°, for a period of over 10 years from 2011 to 2021. The analysis of the inversion results reveals the challenges associated with the inversion of CO emissions at the regional scale over Europe.
David de la Paz, Rafael Borge, Juan Manuel de Andrés, Luis Miguel Tovar, Golam Sarwar, and Sergey L. Napelenok
EGUsphere, https://doi.org/10.5194/egusphere-2023-2056, https://doi.org/10.5194/egusphere-2023-2056, 2023
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This modelling study shows that around 70 % of ground-level ozone (O3) in Madrid (Spain) is transported from other regions. Nonetheless, local sources, mainly road traffic, play a significant role, specially under stagnation conditions associated to regional air recirculation. Our results suggest that local measures may be effective to reduce O3 peaks (potentially, up to 30 %) and thus, reduce impacts from high-O3 episodes in the Madrid metropolitan area.
Alba Badia, Veronica Vidal, Sergi Ventura, Roger Curcoll, Ricard Segura, and Gara Villalba
Atmos. Chem. Phys., 23, 10751–10774, https://doi.org/10.5194/acp-23-10751-2023, https://doi.org/10.5194/acp-23-10751-2023, 2023
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Improving air quality is a top priority in urban areas. In this study, we used an air quality model to analyse the air quality changes occurring over the metropolitan area of Barcelona and other rural areas affected by transport of the atmospheric plume from the city during mobility restrictions. Our results show that mitigation strategies intended to reduce O3 should be designed according to the local meteorology, air transport, and particular ozone chemistry of the urban area.
Herizo Narivelo, Paul David Hamer, Virginie Marécal, Luke Surl, Tjarda Roberts, Sophie Pelletier, Béatrice Josse, Jonathan Guth, Mickaël Bacles, Simon Warnach, Thomas Wagner, Stefano Corradini, Giuseppe Salerno, and Lorenzo Guerrieri
Atmos. Chem. Phys., 23, 10533–10561, https://doi.org/10.5194/acp-23-10533-2023, https://doi.org/10.5194/acp-23-10533-2023, 2023
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Volcanic emissions emit large quantities of gases and primary aerosols that can play an important role in atmospheric chemistry. We present a study of the fate of volcanic bromine emissions from the eruption of Mount Etna around Christmas 2018. Using a numerical model and satellite observations, we analyse the impact of the volcanic plume and how it modifies the composition of the air over the whole Mediterranean basin, in particular on tropospheric ozone through the bromine-explosion cycle.
Eduardo Torre-Pascual, Gotzon Gangoiti, Ana Rodríguez-García, Estíbaliz Sáez de Cámara, Joana Ferreira, Carla Gama, María Carmen Gómez, Iñaki Zuazo, Jose Antonio García, and Maite de Blas
EGUsphere, https://doi.org/10.5194/egusphere-2023-387, https://doi.org/10.5194/egusphere-2023-387, 2023
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We present an analysis of an intense air pollution episode of tropospheric ozone over the Atlantic coast of the Iberian Peninsula, with measured and simulated parameters. Our analysis based not only on surface parameters but also on altitude parameters shows that the described episode may occur due to the accumulation of O3 in the upper layers of the atmosphere during previous days. That air mass will be transported to surface layers producing a sharp increase in O3 concentrations.
Michael P. Cartwright, Richard J. Pope, Jeremy J. Harrison, Martyn P. Chipperfield, Chris Wilson, Wuhu Feng, David P. Moore, and Parvadha Suntharalingam
Atmos. Chem. Phys., 23, 10035–10056, https://doi.org/10.5194/acp-23-10035-2023, https://doi.org/10.5194/acp-23-10035-2023, 2023
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A 3-D chemical transport model, TOMCAT, is used to simulate global atmospheric carbonyl sulfide (OCS) distribution. Modelled OCS compares well with satellite observations of OCS from limb-sounding satellite observations. Model simulations also compare adequately with surface and atmospheric observations and suitably capture the seasonality of OCS and background concentrations.
Luana S. Basso, Chris Wilson, Martyn P. Chipperfield, Graciela Tejada, Henrique L. G. Cassol, Egídio Arai, Mathew Williams, T. Luke Smallman, Wouter Peters, Stijn Naus, John B. Miller, and Manuel Gloor
Atmos. Chem. Phys., 23, 9685–9723, https://doi.org/10.5194/acp-23-9685-2023, https://doi.org/10.5194/acp-23-9685-2023, 2023
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The Amazon’s carbon balance may have changed due to forest degradation, deforestation and warmer climate. We used an atmospheric model and atmospheric CO2 observations to quantify Amazonian carbon emissions (2010–2018). The region was a small carbon source to the atmosphere, mostly due to fire emissions. Forest uptake compensated for ~ 50 % of the fire emissions, meaning that the remaining forest is still a small carbon sink. We found no clear evidence of weakening carbon uptake over the period.
Rui Zhu, Zhaojun Tang, Xiaokang Chen, Xiong Liu, and Zhe Jiang
Atmos. Chem. Phys., 23, 9745–9763, https://doi.org/10.5194/acp-23-9745-2023, https://doi.org/10.5194/acp-23-9745-2023, 2023
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Ozone Monitoring Instrument (OMI) and surface O3 observations are used to investigate the changes in tropospheric O3 in the USA and Europe in 2005–2020. The surface-based assimilations show limited changes in surface and tropospheric column O3. The OMI-based assimilations show larger decreases in tropospheric O3 columns in 2010–2014, related to a decline in free-tropospheric NO2. Analysis suggests limited impacts of local emissions decline on tropospheric O3 over the USA and Europe in 2005–2020.
R. Bradley Pierce, Monica Harkey, Allen Lenzen, Lee M. Cronce, Jason A. Otkin, Jonathan L. Case, David S. Henderson, Zac Adelman, Tsengel Nergui, and Christopher R. Hain
Atmos. Chem. Phys., 23, 9613–9635, https://doi.org/10.5194/acp-23-9613-2023, https://doi.org/10.5194/acp-23-9613-2023, 2023
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We evaluate two high-resolution model simulations with different meteorological inputs but identical chemistry and anthropogenic emissions, with the goal of identifying a model configuration best suited for characterizing air quality in locations where lake breezes commonly affect local air quality along the Lake Michigan shoreline. This analysis complements other studies in evaluating the impact of meteorological inputs and parameterizations on air quality in a complex environment.
Shreta Ghimire, Zachary J. Lebo, Shane Murphy, Stefan Rahimi, and Trang Tran
Atmos. Chem. Phys., 23, 9413–9438, https://doi.org/10.5194/acp-23-9413-2023, https://doi.org/10.5194/acp-23-9413-2023, 2023
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High wintertime ozone levels have occurred often in recent years in mountain basins with oil and gas production facilities. Photochemical modeling of ozone production serves as a basis for understanding the mechanism by which it occurs and for predictive capability. We present photochemical model simulations of ozone formation and accumulation in the Upper Green River basin, Wyoming, demonstrating the model's ability to simulate wintertime ozone and the sensitivity of ozone to its precursors.
Adedayo R. Adedeji, Stephen J. Andrews, Matthew J. Rowlinson, Mathew J. Evans, Alastair C. Lewis, Shigeru Hashimoto, Hitoshi Mukai, Hiroshi Tanimoto, Yasunori Tohjima, and Takuya Saito
Atmos. Chem. Phys., 23, 9229–9244, https://doi.org/10.5194/acp-23-9229-2023, https://doi.org/10.5194/acp-23-9229-2023, 2023
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We use the GEOS-Chem model to interpret observations of CO, C2H6, C3H8, NOx, NOy and O3 made from Hateruma Island in 2018. The model captures many synoptic-scale events and the seasonality of most pollutants at the site but underestimates C2H6 and C3H8 during the winter. These underestimates are unlikely to be reconciled by increases in biomass burning emissions but could be reconciled by increasing the Asian anthropogenic source of C2H6 and C3H8 by factors of around 2 and 3, respectively.
Bryan K. Place, William T. Hutzell, K. Wyat Appel, Sara Farrell, Lukas Valin, Benjamin N. Murphy, Karl M. Seltzer, Golam Sarwar, Christine Allen, Ivan R. Piletic, Emma L. D'Ambro, Emily Saunders, Heather Simon, Ana Torres-Vasquez, Jonathan Pleim, Rebecca H. Schwantes, Matthew M. Coggon, Lu Xu, William R. Stockwell, and Havala O. T. Pye
Atmos. Chem. Phys., 23, 9173–9190, https://doi.org/10.5194/acp-23-9173-2023, https://doi.org/10.5194/acp-23-9173-2023, 2023
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Ground-level ozone is a pollutant with adverse human health and ecosystem effects. Air quality models allow scientists to understand the chemical production of ozone and demonstrate impacts of air quality management plans. In this work, the role of multiple systems in ozone production was investigated for the northeastern US in summer. Model updates to chemical reaction rates and monoterpene chemistry were most influential in decreasing predicted ozone and improving agreement with observations.
Alfred W. Mayhew, Peter M. Edwards, and Jaqueline F. Hamilton
Atmos. Chem. Phys., 23, 8473–8485, https://doi.org/10.5194/acp-23-8473-2023, https://doi.org/10.5194/acp-23-8473-2023, 2023
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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 investigates modelled changes to daytime isoprene nitrate concentrations resulting from changes in NOx and O3. The results highlight the complex, nonlinear chemistry of this group of species under typical conditions for megacities such as Beijing, with many species showing increased concentrations when NOx is decreased and/or ozone is increased.
Alice Drinkwater, Paul I. Palmer, Liang Feng, Tim Arnold, Xin Lan, Sylvia E. Michel, Robert Parker, and Hartmut Boesch
Atmos. Chem. Phys., 23, 8429–8452, https://doi.org/10.5194/acp-23-8429-2023, https://doi.org/10.5194/acp-23-8429-2023, 2023
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Changes in atmospheric methane over the last few decades are largely unexplained. Previous studies have proposed different hypotheses to explain short-term changes in atmospheric methane. We interpret observed changes in atmospheric methane and stable isotope source signatures (2004–2020). We argue that changes over this period are part of a large-scale shift from high-northern-latitude thermogenic energy emissions to tropical biogenic emissions, particularly from North Africa and South America.
Claudio A. Belis and Rita Van Dingenen
Atmos. Chem. Phys., 23, 8225–8240, https://doi.org/10.5194/acp-23-8225-2023, https://doi.org/10.5194/acp-23-8225-2023, 2023
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The study assesses the influence that abating emissions in the rest of the world have on exposure and mortality due to ozone and fine particulate matter in the region covered by the Gothenburg protocol (UNECE, mainly Europe and North America). To that end, the impacts of pollutants derived from different geographic areas and anthropogenic sources are analysed in a series of scenarios including measures to abate air pollutants and greenhouse gas emissions with different levels of ambition.
Ruosi Liang, Yuzhong Zhang, Wei Chen, Peixuan Zhang, Jingran Liu, Cuihong Chen, Huiqin Mao, Guofeng Shen, Zhen Qu, Zichong Chen, Minqiang Zhou, Pucai Wang, Robert J. Parker, Hartmut Boesch, Alba Lorente, Joannes D. Maasakkers, and Ilse Aben
Atmos. Chem. Phys., 23, 8039–8057, https://doi.org/10.5194/acp-23-8039-2023, https://doi.org/10.5194/acp-23-8039-2023, 2023
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We compare and evaluate East Asian methane emissions inferred from different satellite observations (GOSAT and TROPOMI). The results show discrepancies over northern India and eastern China. Independent ground-based observations are more consistent with TROPOMI-derived emissions in northern India and GOSAT-derived emissions in eastern China.
Marc Guevara, Hervé Petetin, Oriol Jorba, Hugo Denier van der Gon, Jeroen Kuenen, Ingrid Super, Claire Granier, Thierno Doumbia, Philippe Ciais, Zhu Liu, Robin D. Lamboll, Sabine Schindlbacher, Bradley Matthews, and Carlos Pérez García-Pando
Atmos. Chem. Phys., 23, 8081–8101, https://doi.org/10.5194/acp-23-8081-2023, https://doi.org/10.5194/acp-23-8081-2023, 2023
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This study provides an intercomparison of European 2020 emission changes derived from official inventories, which are reported by countries under the framework of several international conventions and directives, and non-official near-real-time estimates, the use of which has significantly grown since the COVID-19 outbreak. The results of the work are used to produce recommendations on how best to approach and make use of near-real-time emissions for modelling and monitoring applications.
Amy Christiansen, Loretta J. Mickley, and Lu Hu
EGUsphere, https://doi.org/10.5194/egusphere-2023-1249, https://doi.org/10.5194/egusphere-2023-1249, 2023
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In this work, we provide an additional constraint on emissions and trends of nitrogen oxides using nitrate wet deposition (NWD) fluxes over the United States and Europe from 1980–2020. We find that NWD measurements constrain total NOx emissions well. We also find evidence of NOx emissions overestimates in both domains, but especially over Europe, where NOx emissions are overestimated by a factor of 2. Reducing NOx emissions over Europe improves model representation of ozone at the surface.
Cited articles
Almeida, J., Schobesberger, S., Kurten, A., Ortega, I. K., Kupiainen-Maatta, O., Praplan, A. P., Adamov, A., Amorim, A., Bianchi, F., Breitenlechner, M., David, A., Dommen, J., Donahue, N. M., Downard, A., Dunne, E., Duplissy, J., Ehrhart, S., Flagan, R. C., Franchin, A., Guida, R., Hakala, J., Hansel, A., Heinritzi, M., Henschel, H., Jokinen, T., Junninen, H., Kajos, M., Kangasluoma, J., Keskinen, H., Kupc, A., Kurten, T., Kvashin, A. N., Laaksonen, A., Lehtipalo, K., Leiminger, M., Leppa, J., Loukonen, V., Makhmutov, V., Mathot, S., McGrath, M. J., Nieminen, T., Olenius, T., Onnela, A., Petaja, T., Riccobono, F., Riipinen, I., Rissanen, M., Rondo, L., Ruuskanen, T., Santos, F. D., Sarnela, N., Schallhart, S., Schnitzhofer, R., Seinfeld, J. H., Simon, M., Sipila, M., Stozhkov, Y., Stratmann, F., Tome, A., Trostl, J., Tsagkogeorgas, G., Vaattovaara, P., Viisanen, Y., Virtanen, A., Vrtala, A., Wagner, P. E., Weingartner, E., Wex, H., Williamson, C., Wimmer, D., Ye, P. L., Yli-Juuti, T., Carslaw, K. S., Kulmala, M., Curtius, J., Baltensperger, U., Worsnop, D. R., Vehkamaki, H., and Kirkby, J.: Molecular Understanding of Sulphuric Acid-Amine Particle Nucleation in the Atmosphere, Nature, 502, 359–363, https://doi.org/10.1038/nature12663, 2013.
Anttila, T., Kerminen, V.-M., and Lehtinen, K. E. J.: Parameterizing the formation rate of new particles: The effect of nuclei self-coagulation, J. Aerosol Sci., 41, 621–636, https://doi.org/10.1016/j.jaerosci.2010.04.008, 2010.
Birmili, W., Berresheim, H., Plass-Dülmer, C., Elste, T., Gilge, S., Wiedensohler, A., and Uhrner, U.: The Hohenpeissenberg aerosol formation experiment (HAFEX): a long-term study including size-resolved aerosol, H2SO4, OH, and monoterpenes measurements, Atmos. Chem. Phys., 3, 361–376, https://doi.org/10.5194/acp-3-361-2003, 2003.
Brüggemann, M., Poulain, L., Held, A., Stelzer, T., Zuth, C., Richters, S., Mutzel, A., van Pinxteren, D., Iinuma, Y., Katkevica, S., Rabe, R., Herrmann, H., and Hoffmann, T.: Real-time detection of highly oxidized organosulfates and BSOA marker compounds during the F-BEACh 2014 field study, Atmos. Chem. Phys., 17, 1453–1469, https://doi.org/10.5194/acp-17-1453-2017, 2017.
Brüggemann, M., Xu, R., Tilgner, A., Kwong, K. C., Mutzel, A., Poon, H. Y., Otto, T., Schaefer, T., Poulain, L., Chan, M. N., and Herrmann, H.: Organosulfates in Ambient Aerosol: State of Knowledge and Future Research Directions on Formation, Abundance, Fate, and Importance, Environ. Sci. Technol., 54, 3767–3782, https://doi.org/10.1021/acs.est.9b06751, 2020.
Cao, Y., Zhou, H., Jiang, W., Chen, C.-W., and Pan, W.-P.: Studies of the Fate of Sulfur Trioxide in Coal-Fired Utility Boilers Based on Modified Selected Condensation Methods, Environ. Sci. Technol., 44, 3429–3434, https://doi.org/10.1021/es903661b, 2010.
Chen, D., Li, D., Wang, C., Liu, F., and Wang, W.: Formation Mechanism of Methanesulfonic Acid and Ammonia Clusters: A Kinetics Simulation Study, Atmos. Environ., 222, 117161, https://doi.org/10.1016/j.atmosenv.2019.117161, 2020.
Chen, L. and Bhattacharya, S.: Sulfur emission from Victorian brown coal under pyrolysis, oxy-fuel combustion and gasification conditions, Environ. Sci. Technol., 47, 1729–1734, https://doi.org/10.1021/es303364g, 2013.
Chen, Y., Guo, H., Nah, T., Tanner, D. J., Sullivan, A. P., Takeuchi, M., Gao, Z., Vasilakos, P., Russell, A. G., Baumann, K., Huey, L. G., Weber, R. J., and Ng, N. L.: Low-Molecular-Weight Carboxylic Acids in the Southeastern U.S.: Formation, Partitioning, and Implications for Organic Aerosol Aging, Environ. Sci. Technol., 55, 6688–6699, https://doi.org/10.1021/acs.est.1c01413, 2021.
Clark, T., Chandrasekhar, J., Spitznagel, G. W., and Schleyer, P. V. R.: Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li–F, J. Comput. Chem., 4, 294–301, https://doi.org/10.1002/jcc.540040303, 1983.
Dal Maso, M., Sogacheva, L., Aalto, P. P., Riipinen, I., Komppula, M., Tunved, P., Korhonen, L., Suur-Uski, V., Hirsikko, A., KurtéN, T., Kerminen, V.-M., Lihavainen, H., Viisanen, Y., Hansson, H.-C., and Kulmala, M.: Aerosol size distribution measurements at four Nordic field stations: identification, analysis and trajectory analysis of new particle formation bursts, Tellus B, 59, 350–361, https://doi.org/10.1111/j.1600-0889.2007.00267.x, 2007.
Dal Maso, M., Hyvärinen, A., Komppula, M., Tunved, P., Kerminen, V.-M., Lihavainen, H., Öviisanen, Y., Hansson, H.-C., and Kulmala, M.: Annual and interannual variation in boreal forest aerosol particle number and volume concentration and their connection to particle formation, Tellus B, 60, 495–508, https://doi.org/10.1111/j.1600-0889.2008.00366.x, 2008.
Darer, A. I., Cole-Filipiak, N. C., O'Connor, A. E., and Elrod, M. J.: Formation and Stability of Atmospherically Relevant Isoprene-Derived Organosulfates and Organonitrates, Environ. Sci. Technol., 45, 1895–1902, https://doi.org/10.1021/es103797z, 2011.
Duncan, S. M., Tomaz, S., Morrison, G., Webb, M., Atkin, J., Surratt, J. D., and Turpin, B. J.: Dynamics of Residential Water-Soluble Organic Gases: Insights into Sources and Sinks, Environ. Sci. Technol., 53, 1812–1821, https://doi.org/10.1021/acs.est.8b05852, 2019.
Ehn, M., Junninen, H., Petäjä, T., Kurtén, T., Kerminen, V.-M., Schobesberger, S., Manninen, H. E., Ortega, I. K., Vehkamäki, H., Kulmala, M., and Worsnop, D. R.: Composition and temporal behavior of ambient ions in the boreal forest, Atmos. Chem. Phys., 10, 8513–8530, https://doi.org/10.5194/acp-10-8513-2010, 2010.
Ehn, M., Thornton, J. A., Kleist, E., Sipilä, M., Junninen, H., Pullinen, I., Springer, M., Rubach, F., Tillmann, R., and Lee, B.: A large source of low-volatility secondary organic aerosol, Nature, 506, 476–479, https://doi.org/10.1038/nature13032, 2014.
Elm, J., Bilde, M., and Mikkelsen, K. V.: Assessment of Density Functional Theory in Predicting Structures and Free Energies of Reaction of Atmospheric Prenucleation Clusters, J. Chem. Theory Comput., 8, 2071–2077, https://doi.org/10.1021/ct300192p, 2012.
Elm, J., Myllys, N., Hyttinen, N., and Kurtén, T.: Computational Study of the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Itself and Sulfuric Acid, J. Phys. Chem. A, 119, 8414–8421, https://doi.org/10.1021/acs.jpca.5b04040, 2015.
Elm, J., Jen, C. N., Kurtén, T., and Vehkamäki, H.: Strong hydrogen bonded molecular interactions between atmospheric diamines and sulfuric acid, J. Phys. Chem. A, 120, 3693–3700, https://doi.org/10.1021/acs.jpca.6b03192, 2016.
Feketeová, L., Bertier, P., Salbaing, T., Azuma, T., Calvo, F., Farizon, B., Farizon, M., and Märk, T. D.: Impact of a hydrophobic ion on the early stage of atmospheric aerosol formation, P. Natl. Acad. Sci. USA, 116, 22540–22544, https://doi.org/10.1073/pnas.1911136116, 2019.
Froyd, K. D., Murphy, S. M., Murphy, D. M., de Gouw, J. A., Eddingsaas, N. C., and Wennberg, P. O.: Contribution of isoprene-derived organosulfates to free tropospheric aerosol mass, P. Natl. Acad. Sci. USA, 107, 21360, https://doi.org/10.1073/pnas.1012561107, 2010.
Ge, P., Luo, G., Luo, Y., Huang, W., Xie, H. B., and Chen, J. W.: A molecular-scale study on the hydration of sulfuric acid-amide complexes and the atmospheric implication, Chemosphere, 213, 453–462, https://doi.org/10.1016/j.chemosphere.2018.09.068, 2018a.
Ge, P., Luo, G., Luo, Y., Huang, W., Xie, H. B., Chen, J. W., and Qu, J. P.: Molecular understanding of the interaction of amino acids with sulfuric acid in the presence of water and the atmospheric implication, Chemosphere, 210, 215–223, https://doi.org/10.1016/j.chemosphere.2018.07.014, 2018b.
Ge, X. L., Wexler, A. S., and Clegg, S. L.: Atmospheric amines – Part I. A review, Atmos. Environ., 45, 524–546, https://doi.org/10.1016/j.atmosenv.2010.10.012, 2011.
Glasius, M., Hansen, A. M. K., Claeys, M., Henzing, J. S., Jedynska, A. D., Kasper-Giebl, A., Kistler, M., Kristensen, K., Martinsson, J., Maenhaut, W., Nøjgaard, J. K., Spindler, G., Stenström, K. E., Swietlicki, E., Szidat, S., Simpson, D., and Yttri, K. E.: Composition and sources of carbonaceous aerosols in Northern Europe during winter, Atmos. Environ., 173, 127–141, https://doi.org/10.1016/j.atmosenv.2017.11.005, 2018.
Hazra, M. K. and Sinha, A.: Formic Acid Catalyzed Hydrolysis of SO3 in the Gas Phase: A Barrierless Mechanism for Sulfuric Acid Production of Potential Atmospheric Importance, J. Am. Chem. Soc., 133, 17444–17453, https://doi.org/10.1021/ja207393v, 2011.
Herb, J., Nadykto, A. B., and Yu, F.: Large ternary hydrogen-bonded pre-nucleation clusters in the Earth's atmosphere, Chem. Phys. Lett., 518, 7–14, https://doi.org/10.1016/j.cplett.2011.10.035, 2011.
Hettiyadura, A. P. S., Stone, E. A., Kundu, S., Baker, Z., Geddes, E., Richards, K., and Humphry, T.: Determination of atmospheric organosulfates using HILIC chromatography with MS detection, Atmos. Meas. Tech., 8, 2347–2358, https://doi.org/10.5194/amt-8-2347-2015, 2015.
Hettiyadura, A. P. S., Jayarathne, T., Baumann, K., Goldstein, A. H., de Gouw, J. A., Koss, A., Keutsch, F. N., Skog, K., and Stone, E. A.: Qualitative and quantitative analysis of atmospheric organosulfates in Centreville, Alabama, Atmos. Chem. Phys., 17, 1343–1359, https://doi.org/10.5194/acp-17-1343-2017, 2017.
Hirvonen, V., Myllys, N., Kurtén, T., and Elm, J.: Closed-Shell Organic Compounds Might Form Dimers at the Surface of Molecular Clusters, J. Phys. Chem. A, 122, 1771–1780, https://doi.org/10.1021/acs.jpca.7b11970, 2018.
Huang, H.-L., Chao, W., and Lin, J. J.-M.: Kinetics of a Criegee intermediate that would survive high humidity and may oxidize atmospheric SO2, P. Natl. Acad. Sci. USA, 112, 10857–10862, https://doi.org/10.1073/pnas.1513149112, 2015.
Jen, C. N., McMurry, P. H., and Hanson, D. R.: Stabilization of sulfuric acid dimers by ammonia, methylamine, dimethylamine, and trimethylamine, J. Geophys. Res.-Atmos., 119, 7502–7514, https://doi.org/10.1002/2014JD021592, 2014.
Jimenez, J. L., Canagaratna, M. R., Donahue, N. M., Prevot, A. S. H., Zhang, Q., Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., Ng, N. L., Aiken, A. C., Docherty, K. S., Ulbrich, I. M., Grieshop, A. P., Robinson, A. L., Duplissy, J., Smith, J. D., Wilson, K. R., Lanz, V. A., Hueglin, C., Sun, Y. L., Tian, J., Laaksonen, A., Raatikainen, T., Rautiainen, J., Vaattovaara, P., Ehn, M., Kulmala, M., Tomlinson, J. M., Collins, D. R., Cubison, M. J., Dunlea, E. J., Huffman, J. A., Onasch, T. B., Alfarra, M. R., Williams, P. I., Bower, K., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K., Salcedo, D., Cottrell, L., Griffin, R., Takami, A., Miyoshi, T., Hatakeyama, S., Shimono, A., Sun, J. Y., Zhang, Y. M., Dzepina, K., Kimmel, J. R., Sueper, D., Jayne, J. T., Herndon, S. C., Trimborn, A. M., Williams, L. R., Wood, E. C., Middlebrook, A. M., Kolb, C. E., Baltensperger, U., and Worsnop, D. R.: Evolution of Organic Aerosols in the Atmosphere, Science, 326, 1525–1529, https://doi.org/10.1126/science.1180353, 2009.
Katz, D. J., Abdelhamid, A., Stark, H., Canagaratna, M. R., Worsnop, D. R., and Browne, E. C.: Chemical identification of new particle formation and growth precursors through positive matrix factorization of ambient ion measurements, Atmos. Chem. Phys., 23, 5567–5585, https://doi.org/10.5194/acp-23-5567-2023, 2023.
Kawamura, K. and Bikkina, S.: A review of dicarboxylic acids and related compounds in atmospheric aerosols: Molecular distributions, sources and transformation, Atom. Res., 170, 140–160, https://doi.org/10.1016/j.atmosres.2015.11.018, 2016.
Kirkby, J., Curtius, J., Almeida, J., Dunne, E., Duplissy, J., Ehrhart, S., Franchin, A., Gagne, S., Ickes, L., Kurten, A., Kupc, A., Metzger, A., Riccobono, F., Rondo, L., Schobesberger, S., Tsagkogeorgas, G., Wimmer, D., Amorim, A., Bianchi, F., Breitenlechner, M., David, A., Dommen, J., Downard, A., Ehn, M., Flagan, R. C., Haider, S., Hansel, A., Hauser, D., Jud, W., Junninen, H., Kreissl, F., Kvashin, A., Laaksonen, A., Lehtipalo, K., Lima, J., Lovejoy, E. R., Makhmutov, V., Mathot, S., Mikkila, J., Minginette, P., Mogo, S., Nieminen, T., Onnela, A., Pereira, P., Petaja, T., Schnitzhofer, R., Seinfeld, J. H., Sipila, M., Stozhkov, Y., Stratmann, F., Tome, A., Vanhanen, J., Viisanen, Y., Vrtala, A., Wagner, P. E., Walther, H., Weingartner, E., Wex, H., Winkler, P. M., Carslaw, K. S., Worsnop, D. R., Baltensperger, U., and Kulmala, M.: Role of sulphuric acid, ammonia and galactic cosmic rays in atmospheric aerosol nucleation, Nature, 476, 429–433, https://doi.org/10.1038/nature10343, 2011.
Kundu, S., Quraishi, T. A., Yu, G., Suarez, C., Keutsch, F. N., and Stone, E. A.: Evidence and quantitation of aromatic organosulfates in ambient aerosols in Lahore, Pakistan, Atmos. Chem. Phys., 13, 4865–4875, https://doi.org/10.5194/acp-13-4865-2013, 2013.
Kürten, A., Jokinen, T., Simon, M., Sipilä, M., Sarnela, N., Junninen, H., Adamov, A., Almeida, J., Amorim, A., Bianchi, F., Breitenlechner, M., Dommen, J., Donahue, N. M., Duplissy, J., Ehrhart, S., Flagan, R. C., Franchin, A., Hakala, J., Hansel, A., Heinritzi, M., Hutterli, M., Kangasluoma, J., Kirkby, J., Laaksonen, A., Lehtipalo, K., Leiminger, M., Makhmutov, V., Mathot, S., Onnela, A., Petäjä, T., Praplan, A. P., Riccobono, F., Rissanen, M. P., Rondo, L., Schobesberger, S., Seinfeld, J. H., Steiner, G., Tomé, A., Tröstl, J., Winkler, P. M., Williamson, C., Wimmer, D., Ye, P., Baltensperger, U., Carslaw, K. S., Kulmala, M., Worsnop, D. R., and Curtius, J.: Neutral molecular cluster formation of sulfuric acid–dimethylamine observed in real time under atmospheric conditions, P. Natl. Acad. Sci. USA, 111, 15019–15024, https://doi.org/10.1073/pnas.1404853111, 2014.
Laaksonen, A., Kulmala, M., O'Dowd, C. D., Joutsensaari, J., Vaattovaara, P., Mikkonen, S., Lehtinen, K. E. J., Sogacheva, L., Dal Maso, M., Aalto, P., Petäjä, T., Sogachev, A., Yoon, Y. J., Lihavainen, H., Nilsson, D., Facchini, M. C., Cavalli, F., Fuzzi, S., Hoffmann, T., Arnold, F., Hanke, M., Sellegri, K., Umann, B., Junkermann, W., Coe, H., Allan, J. D., Alfarra, M. R., Worsnop, D. R., Riekkola, M.-L., Hyötyläinen, T., and Viisanen, Y.: The role of VOC oxidation products in continental new particle formation, Atmos. Chem. Phys., 8, 2657–2665, https://doi.org/10.5194/acp-8-2657-2008, 2008.
Lee, S. H., Gordon, H., Yu, H., Lehtipalo, K., Haley, R., Li, Y., and Zhang, R.: New Particle Formation in the Atmosphere: From Molecular Clusters to Global Climate, J. Geophys. Res.-Atoms., 124, 7098–7146, https://doi.org/10.1029/2018JD029356, 2019.
Lehtinen, K. E. J., Dal Maso, M., Kulmala, M., and Kerminen, V.-M.: Estimating nucleation rates from apparent particle formation rates and vice versa: Revised formulation of the Kerminen–Kulmala equation, J. Aerosol Sci., 38, 988–994, https://doi.org/10.1016/j.jaerosci.2007.06.009, 2007.
Lehtipalo, K., Rondo, L., Kontkanen, J., Schobesberger, S., Jokinen, T., Sarnela, N., Kürten, A., Ehrhart, S., Franchin, A., Nieminen, T., Riccobono, F., Sipilä, M., Yli-Juuti, T., Duplissy, J., Adamov, A., Ahlm, L., Almeida, J., Amorim, A., Bianchi, F., Breitenlechner, M., Dommen, J., Downard, A. J., Dunne, E. M., Flagan, R. C., Guida, R., Hakala, J., Hansel, A., Jud, W., Kangasluoma, J., Kerminen, V.-M., Keskinen, H., Kim, J., Kirkby, J., Kupc, A., Kupiainen-Määttä, O., Laaksonen, A., Lawler, M. J., Leiminger, M., Mathot, S., Olenius, T., Ortega, I. K., Onnela, A., Petäjä, T., Praplan, A., Rissanen, M. P., Ruuskanen, T., Santos, F. D., Schallhart, S., Schnitzhofer, R., Simon, M., Smith, J. N., Tröstl, J., Tsagkogeorgas, G., Tomé, A., Vaattovaara, P., Vehkamäki, H., Vrtala, A. E., Wagner, P. E., Williamson, C., Wimmer, D., Winkler, P. M., Virtanen, A., Donahue, N. M., Carslaw, K. S., Baltensperger, U., Riipinen, I., Curtius, J., Worsnop, D. R., and Kulmala, M.: The effect of acid–base clustering and ions on the growth of atmospheric nano-particles, Nat. Commun., 7, 11594, https://doi.org/10.1038/ncomms11594, 2016.
Li, H., Kupiainen-Määttä, O., Zhang, H., Zhang, X., and Ge, M.: A molecular-scale study on the role of lactic acid in new particle formation: Influence of relative humidity and temperature, Atmos. Environ., 166, 479–487, https://doi.org/10.1016/j.atmosenv.2017.07.039, 2017.
Li, H., Zhong, J., Vehkamäki, H., Kurteìn, T., Wang, W., Ge, M., Zhang, S., Li, Z., Zhang, X., Francisco, J. S., and Zeng, X.: Self-catalytic reaction of SO3 and NH3 to produce sulfamic acid and its implication to atmospheric particle formation, J. Am. Chem. Soc., 140, 11020–11028, https://doi.org/10.1021/jacs.8b04928, 2018.
Liu, F., Bi, X., Zhang, G., Lian, X., Fu, Y., Yang, Y., Lin, Q., Jiang, F., Wang, X., Peng, P., and Sheng, G.: Gas-to-particle partitioning of atmospheric amines observed at a mountain site in southern China, Atmos. Environ., 195, 1–11, https://doi.org/10.1016/j.atmosenv.2018.09.038, 2018.
Liu, J. R., Liu, L., Rong, H., and Zhang, X. H.: The potential mechanism of atmospheric new particle formation involving amino acids with multiple functional groups, Phys. Chem. Chem. Phys., 23, 10184–10195, https://doi.org/10.1039/d0cp06472f, 2021.
Liu, L., Zhang, X., Li, Z., Zhang, Y., and Ge, M.: Gas-phase hydration of glyoxylic acid: Kinetics and atmospheric implications, Chemosphere, 186, 430–437, https://doi.org/10.1016/j.chemosphere.2017.08.007, 2017.
Liu, L., Kupiainen-Maatta, O., Zhang, H. J., Li, H., Zhong, J., Kurten, T., Vehkamaki, H., Zhang, S. W., Zhang, Y. H., Ge, M., Zhang, X. H., and Li, Z. S.: Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models, J. Chem. Phys., 148, 214303, https://doi.org/10.1063/1.5030665, 2018.
Liu, L., Zhong, J., Vehkamäki, H., Kurtén, T., Du, L., Zhang, X., Francisco, J. S., and Zeng, X.-C.: Unexpected quenching effect on new particle formation from the atmospheric reaction of methanol with SO3, P. Natl. Acad. Sci. USA, 116, 24966–24971, https://doi.org/10.1073/pnas.1915459116, 2019.
Liu, L., Yu, F., Du, L., Yang, Z., Francisco, J. S., and Zhang, X.: Rapid sulfuric acid–dimethylamine nucleation enhanced by nitric acid in polluted regions, P. Natl. Acad. Sci. USA, 118, e2108384118, https://doi.org/10.1073/pnas.2108384118, 2021.
Loukonen, V., Kurtén, T., Ortega, I. K., Vehkamäki, H., Pádua, A. A. H., Sellegri, K., and Kulmala, M.: Enhancing effect of dimethylamine in sulfuric acid nucleation in the presence of water – a computational study, Atmos. Chem. Phys., 10, 4961–4974, https://doi.org/10.5194/acp-10-4961-2010, 2010.
Lu, T.: Molclus Program, Version 1.9.9.9, http://www.keinsci.com/research/molclus.html, last access: 6 March 2022.
Lv, G., Sui, X., Chen, J., Jayaratne, R., and Mellouki, A.: Investigation of new particle formation at the summit of Mt. Tai, China, Atmos. Chem. Phys., 18, 2243–2258, https://doi.org/10.5194/acp-18-2243-2018, 2018.
Ma, F., Xie, H.-B., Elm, J., Shen, J., Chen, J., and Vehkamäki, H.: Piperazine enhancing sulfuric acid-based new particle formation: implications for the atmospheric fate of piperazine, Environ. Sci. Technol., 53, 8785–8795, https://doi.org/10.1021/acs.est.9b02117, 2019.
Mackenzie, R. B., Dewberry, C. T., and Leopold, K. R.: Gas phase observation and microwave spectroscopic characterization of formic sulfuric anhydride, Science, 349, 58–61, https://doi.org/10.1126/science.aaa9704, 2015.
Matsumoto, K., Kuwabara, T., and Nakano, T.: Seasonal trends and potential sources of aliphatic amines in the aerosols and gas phase at a forested site on the northern foot of Mt. Fuji, Japan, Atmos. Environ., 309, 119885, https://doi.org/10.1016/j.atmosenv.2023.119885, 2023.
McGrath, M. J., Olenius, T., Ortega, I. K., Loukonen, V., Paasonen, P., Kurtén, T., Kulmala, M., and Vehkamäki, H.: Atmospheric Cluster Dynamics Code: a flexible method for solution of the birth-death equations, Atmos. Chem. Phys., 12, 2345–2355, https://doi.org/10.5194/acp-12-2345-2012, 2012.
McNeill, V. F.: Aqueous Organic Chemistry in the Atmosphere: Sources and Chemical Processing of Organic Aerosols, Environ. Sci. Technol., 49, 1237–1244, https://doi.org/10.1021/es5043707, 2015.
McNeill, V. F., Woo, J. L., Kim, D. D., Schwier, A. N., Wannell, N. J., Sumner, A. J., and Barakat, J. M.: Aqueous-phase secondary organic aerosol and organosulfate formation in atmospheric aerosols: A Modeling Study, Environ. Sci. Technol., 46, 8075–8081, https://doi.org/10.1021/es3002986, 2012.
Metzger, A., Verheggen, B., Dommen, J., Duplissy, J., Prevot, A. S. H., Weingartner, E., Riipinen, I., Kulmala, M., Spracklen, D. V., Carslaw, K. S., and Baltensperger, U.: Evidence for the role of organics in aerosol particle formation under atmospheric conditions, P. Natl. Acad. Sci. USA, 107, 6646–6651, https://doi.org/10.1073/pnas.0911330107, 2010.
Mikkonen, S., Romakkaniemi, S., Smith, J. N., Korhonen, H., Petäjä, T., Plass-Duelmer, C., Boy, M., McMurry, P. H., Lehtinen, K. E. J., Joutsensaari, J., Hamed, A., Mauldin III, R. L., Birmili, W., Spindler, G., Arnold, F., Kulmala, M., and Laaksonen, A.: A statistical proxy for sulphuric acid concentration, Atmos. Chem. Phys., 11, 11319–11334, https://doi.org/10.5194/acp-11-11319-2011, 2011.
Mitsui, Y., Imada, N., Kikkawa, H., and Katagawa, A.: Study of Hg and SO3 behavior in flue gas of oxy-fuel combustion system, Int. J. Greenh. Gas Con., 5, S143–S150, https://doi.org/10.1016/j.ijggc.2011.05.017, 2011.
Miyazaki, Y., Sawano, M., and Kawamura, K.: Low-molecular-weight hydroxyacids in marine atmospheric aerosol: evidence of a marine microbial origin, Biogeosciences, 11, 4407–4414, https://doi.org/10.5194/bg-11-4407-2014, 2014.
Mochizuki, T., Kawamura, K., Aoki, K., and Sugimoto, N.: Long-range atmospheric transport of volatile monocarboxylic acids with Asian dust over a high mountain snow site, central Japan, Atmos. Chem. Phys., 16, 14621–14633, https://doi.org/10.5194/acp-16-14621-2016, 2016.
Mochizuki, T., Kawamura, K., Nakamura, S., Kanaya, Y., and Wang, Z.: Enhanced levels of atmospheric low-molecular weight monocarboxylic acids in gas and particulates over Mt. Tai, North China, during field burning of agricultural wastes, Atmos. Environ., 171, 237–247, https://doi.org/10.1016/j.atmosenv.2017.10.026, 2017.
Mochizuki, T., Kawamura, K., Miyazaki, Y., Kunwar, B., and Boreddy, S. K. R.: Distributions and sources of low-molecular-weight monocarboxylic acids in gas and particles from a deciduous broadleaf forest in northern Japan, Atmos. Chem. Phys., 19, 2421–2432, https://doi.org/10.5194/acp-19-2421-2019, 2019.
Mutzel, A., Poulain, L., Berndt, T., Iinuma, Y., Rodigast, M., Böge, O., Richters, S., Spindler, G., Sipilä, M., Jokinen, T., Kulmala, M., and Herrmann, H.: Highly Oxidized Multifunctional Organic Compounds Observed in Tropospheric Particles: A Field and Laboratory Study, Environ. Sci. Technol., 49, 7754–7761, https://doi.org/10.1021/acs.est.5b00885, 2015.
Neese, F.: The ORCA program system, WIREs Comput. Mol. Sci., 2, 73–78, https://doi.org/10.1002/wcms.81, 2012.
Nguyen, Q. T., Christensen, M. K., Cozzi, F., Zare, A., Hansen, A. M. K., Kristensen, K., Tulinius, T. E., Madsen, H. H., Christensen, J. H., Brandt, J., Massling, A., Nøjgaard, J. K., and Glasius, M.: Understanding the anthropogenic influence on formation of biogenic secondary organic aerosols in Denmark via analysis of organosulfates and related oxidation products, Atmos. Chem. Phys., 14, 8961–8981, https://doi.org/10.5194/acp-14-8961-2014, 2014.
Ning, A. and Zhang, X.: The synergistic effects of methanesulfonic acid (MSA) and methanesulfinic acid (MSIA) on marine new particle formation, Atmos. Environ., 269, 118826, https://doi.org/10.1016/j.atmosenv.2021.118826, 2022.
Ning, A., Zhang, H., Zhang, X., Li, Z., Zhang, Y., Xu, Y., and Ge, M.: A molecular-scale study on the role of methanesulfinic acid in marine new particle formation, Atmos. Environ., 227, 117378, https://doi.org/10.1016/j.atmosenv.2020.117378, 2020.
O'Dowd, C. D., Aalto, P., Hmeri, K., Kulmala, M., and Hoffmann, T.: Atmospheric particles from organic vapours, Nature, 416, 497–498, https://doi.org/10.1038/416497a, 2002.
Olenius, T., Kupiainen-Määttä, O., Ortega, I., Kurtén, T., and Vehkamäki, H.: Free energy barrier in the growth of sulfuric acid–ammonia and sulfuric acid–dimethylamine clusters, J. Chem. Phys., 139, 084312, https://doi.org/10.1063/1.4819024, 2013.
Olenius, T., Halonen, R., Kurtén, T., Henschel, H., Kupiainen-Määttä, O., Ortega, I. K., Jen, C. N., Vehkamäki, H., and Riipinen, I.: New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine, J. Geophys. Res.-Atoms., 122, 7103–7118, https://doi.org/10.1002/2017JD026501, 2017.
Olson, C. N., Galloway, M. M., Yu, G., Hedman, C. J., Lockett, M. R., Yoon, T., Stone, E. A., Smith, L. M., and Keutsch, F. N.: Hydroxycarboxylic Acid-Derived Organosulfates: Synthesis, Stability, and Quantification in Ambient Aerosol, Environ. Sci. Technol., 45, 6468–6474, https://doi.org/10.1021/es201039p, 2011.
Ortega, I. K., Kupiainen, O., Kurtén, T., Olenius, T., Wilkman, O., McGrath, M. J., Loukonen, V., and Vehkamäki, H.: From quantum chemical formation free energies to evaporation rates, Atmos. Chem. Phys., 12, 225–235, https://doi.org/10.5194/acp-12-225-2012, 2012.
Passananti, M., Kong, L., Shang, J., Dupart, Y., Perrier, S., Chen, J., Donaldson, D. J., and George, C.: Organosulfate Formation through the Heterogeneous Reaction of Sulfur Dioxide with Unsaturated Fatty Acids and Long-Chain Alkenes, Angew. Chem. Int. Edit., 55, 10336–10339, https://doi.org/10.1002/anie.201605266, 2016.
Riipinen, I., Sihto, S.-L., Kulmala, M., Arnold, F., Dal Maso, M., Birmili, W., Saarnio, K., Teinilä, K., Kerminen, V.-M., Laaksonen, A., and Lehtinen, K. E. J.: Connections between atmospheric sulphuric acid and new particle formation during QUEST III–IV campaigns in Heidelberg and Hyytiälä, Atmos. Chem. Phys., 7, 1899–1914, https://doi.org/10.5194/acp-7-1899-2007, 2007.
Riplinger, C. and Neese, F.: An efficient and near linear scaling pair natural orbital based local coupled cluster method, J. Chem. Phys., 138, 034106, https://doi.org/10.1063/1.4773581, 2013.
Riplinger, C., Sandhoefer, B., Hansen, A., and Neese, F.: Natural triple excitations in local coupled cluster calculations with pair natural orbitals, J. Chem. Phys., 139, 134101, https://doi.org/10.1063/1.4821834, 2013.
Ristovski, Z. D., Suni, T., Kulmala, M., Boy, M., Meyer, N. K., Duplissy, J., Turnipseed, A., Morawska, L., and Baltensperger, U.: The role of sulphates and organic vapours in growth of newly formed particles in a eucalypt forest, Atmos. Chem. Phys., 10, 2919–2926, https://doi.org/10.5194/acp-10-2919-2010, 2010.
Riva, M., Tomaz, S., Cui, T., Lin, Y.-H., Perraudin, E., Gold, A., Stone, E. A., Villenave, E., and Surratt, J. D.: Evidence for an Unrecognized Secondary Anthropogenic Source of Organosulfates and Sulfonates: Gas-Phase Oxidation of Polycyclic Aromatic Hydrocarbons in the Presence of Sulfate Aerosol, Environ. Sci. Technol., 49, 6654–6664, https://doi.org/10.1021/acs.est.5b00836, 2015.
Riva, M., Budisulistiorini, S. H., Chen, Y., Zhang, Z., D'Ambro, E. L., Zhang, X., Gold, A., Turpin, B. J., Thornton, J. A., Canagaratna, M. R., and Surratt, J. D.: Chemical Characterization of Secondary Organic Aerosol from Oxidation of Isoprene Hydroxyhydroperoxides, Environ. Sci. Technol., 50, 9889–9899, https://doi.org/10.1021/acs.est.6b02511, 2016.
Rong, H., Liu, L., Liu, J., and Zhang, X.: Glyoxylic sulfuric anhydride from the gas-phase reaction between glyoxylic acid and SO3: a potential nucleation precursor, J. Phys. Chem. A, 124, 3261–3268, https://doi.org/10.1021/acs.jpca.0c01558, 2020.
Rose, C., Zha, Q., Dada, L., Yan, C., Lehtipalo, K., Junninen, H., Mazon, S. B., Jokinen, T., Sarnela, N., Sipilä, M., Petäjä, T., Kerminen, V.-M., Bianchi, F., and Kulmala, M.: Observations of biogenic ion-induced cluster formation in the atmosphere, Sci. Adv., 4, eaar5218, https://doi.org/10.1126/sciadv.aar5218, 2018.
Shakya, K. M. and Peltier, R. E.: Non-sulfate sulfur in fine aerosols across the United States: Insight for organosulfate prevalence, Atmos. Environ., 100, 159–166, https://doi.org/10.1016/j.atmosenv.2014.10.058, 2015.
Shampine, L. F. and Reichelt, M. W.: The MATLAB ODE Suite, SIAM J. Sci. Comput., 18, 1–22, https://doi.org/10.1137/s1064827594276424, 1997.
Shen, G., Suto, M., and Lee, L. C.: Reaction rate constant of SO3+ CH3OH in the gas phase, Int. J. Chem. Kinet., 22, 633–639, https://doi.org/10.1002/kin.550220607, 1990.
Shen, J., Xie, H.-B., Elm, J., Ma, F., Chen, J., and Vehkamäki, H.: Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study, Environ. Sci. Technol., 53, 14387–14397, https://doi.org/10.1021/acs.est.9b05306, 2019.
Shen, J., Elm, J., Xie, H.-B., Chen, J., Niu, J., and Vehkamäki, H.: Structural Effects of Amines in Enhancing Methanesulfonic Acid-Driven New Particle Formation, Environ. Sci. Technol., 54, 13498–13508, https://doi.org/10.1021/acs.est.0c05358, 2020.
Sipilä, M., Berndt, T., Petäjä, T., Brus, D., Vanhanen, J., Stratmann, F., Patokoski, J., Mauldin, R. L., Hyvärinen, A. P., Lihavainen, H., and Kulmala, M.: The Role of Sulfuric Acid in Atmospheric Nucleation, Science, 327, 1243–1246, https://doi.org/10.1126/science.1180315, 2010.
Smith, C., Huff, A. K., Ward, R. M., and Leopold, K. R.: Carboxylic Sulfuric Anhydrides, J. Phys. Chem. A, 124, 601–612, https://doi.org/10.1021/acs.jpca.9b09310, 2019.
Smith, C. J., Huff, A. K., Mackenzie, R. B., and Leopold, K. R.: Observation of Two Conformers of Acrylic Sulfuric Anhydride by Microwave Spectroscopy, J. Phys. Chem. A, 121, 9074–9080, https://doi.org/10.1021/acs.jpca.7b09833, 2017.
Smith, C. J., Huff, A. K., Mackenzie, R. B., and Leopold, K. R.: Hydration of an Acid Anhydride: The Water Complex of Acetic Sulfuric Anhydride, J. Phys. Chem. A, 122, 4549–4554, https://doi.org/10.1021/acs.jpca.8b02432, 2018.
Stewart, J. J. P.: Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements, J. Mol. Model., 13, 1173–1213, https://doi.org/10.1007/s00894-007-0233-4, 2007.
Stewart, J. J. P.: Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters, J. Mol. Model., 19, 1–32, https://doi.org/10.1007/s00894-012-1667-x, 2013.
Stewart, J. J. P.: MOPAC2016, Colorado Springs, CO, USA, 2016.
Stieger, B., van Pinxteren, D., Tilgner, A., Spindler, G., Poulain, L., Grüner, A., Wallasch, M., and Herrmann, H.: Strong deviations from thermodynamically expected phase partitioning of low-molecular-weight organic acids during one year of rural measurements, ACS Earth Space Chem., 5, 500–515, https://doi.org/10.1021/acsearthspacechem.0c00297, 2021.
Tan, S., Chen, X., and Yin, S.: Comparison results of eight oxygenated organic molecules: Unexpected contribution to new particle formation in the atmosphere, Atmos. Environ., 268, 118817, https://doi.org/10.1016/j.atmosenv.2021.118817, 2022a.
Tan, S., Zhang, X., Lian, Y., Chen, X., Yin, S., Du, L., and Ge, M.: OH group orientation leads to organosulfate formation at the liquid aerosol surface, J. Am. Chem. Soc., 144, 16953–16964, https://doi.org/10.1021/jacs.2c05807, 2022b.
Tan, X.-F., Long, B., Ren, D.-S., Zhang, W.-J., Long, Z.-W., and Mitchell, E.: Atmospheric chemistry of CH3CHO: the hydrolysis of CH3CHO catalyzed by H2SO4, Phys. Chem. Chem. Phys., 20, 7701–7709, https://doi.org/10.1039/C7CP07312G, 2018.
Tolocka, M. P. and Turpin, B.: Contribution of organosulfur compounds to organic aerosol mass, Environ. Sci. Technol., 46, 7978–7983, https://doi.org/10.1021/es300651v, 2012.
Wang, L., Khalizov, A. F., Zheng, J., Xu, W., Ma, Y., Lal, V., and Zhang, R.: Atmospheric nanoparticles formed from heterogeneous reactions of organics, Nat. Geosci., 3, 238–242, https://doi.org/10.1038/ngeo778, 2010.
Wang, M. Y., Kong, W. M., Marten, R., He, X. C., Chen, D. X., Pfeifer, J., Heitto, A., Kontkanen, J., Dada, L., Kurten, A., Yli-Juuti, T., Manninen, H. E., Amanatidis, S., Amorim, A., Baalbaki, R., Baccarini, A., Bell, D. M., Bertozzi, B., Brakling, S., Brilke, S., Murillo, L. C., Chiu, R., Chu, B. W., De Menezes, L. P., Duplissy, J., Finkenzeller, H., Carracedo, L. G., Granzin, M., Guida, R., Hansel, A., Hofbauer, V., Krechmer, J., Lehtipalo, K., Lamkaddam, H., Lampimaki, M., Lee, C. P., Makhmutov, V., Marie, G., Mathot, S., Mauldin, R. L., Mentler, B., Muller, T., Onnela, A., Partoll, E., Petaja, T., Philippov, M., Pospisilova, V., Ranjithkumar, A., Rissanen, M., Rorup, B., Scholz, W., Shen, J. L., Simon, M., Sipila, M., Steiner, G., Stolzenburg, D., Tham, Y. J., Tome, A., Wagner, A. C., Wang, D. Y. S., Wang, Y. H., Weber, S. K., Winkler, P. M., Wlasits, P. J., Wu, Y. H., Xiao, M., Ye, Q., Zauner-Wieczorek, M., Zhou, X. Q., Volkamer, R., Riipinen, I., Dommen, J., Curtius, J., Baltensperger, U., Kulmala, M., Worsnop, D. R., Kirkby, J., Seinfeld, J. H., El-Haddad, I., Flagan, R. C., and Donahue, N. M.: Rapid growth of new atmospheric particles by nitric acid and ammonia condensation, Nature, 581, 184–189, https://doi.org/10.1038/s41586-020-2270-4, 2020.
Wang, Y., Hu, M., Guo, S., Wang, Y., Zheng, J., Yang, Y., Zhu, W., Tang, R., Li, X., Liu, Y., Le Breton, M., Du, Z., Shang, D., Wu, Y., Wu, Z., Song, Y., Lou, S., Hallquist, M., and Yu, J.: The secondary formation of organosulfates under interactions between biogenic emissions and anthropogenic pollutants in summer in Beijing, Atmos. Chem. Phys., 18, 10693–10713, https://doi.org/10.5194/acp-18-10693-2018, 2018.
Wang, Y. H., Liu, Z. R., Zhang, J. K., Hu, B., Ji, D. S., Yu, Y. C., and Wang, Y. S.: Aerosol physicochemical properties and implications for visibility during an intense haze episode during winter in Beijing, Atmos. Chem. Phys., 15, 3205–3215, https://doi.org/10.5194/acp-15-3205-2015, 2015.
Xie, H.-B., Elm, J., Halonen, R., Myllys, N., Kurtén, T., Kulmala, M., and Vehkamäki, H.: Atmospheric fate of monoethanolamine: enhancing new particle formation of sulfuric acid as an important removal process, Environ. Sci. Technol., 51, 8422–8431, https://doi.org/10.1021/acs.est.7b02294, 2017.
Yao, L., Garmash, O., Bianchi, F., Zheng, J., Yan, C., Kontkanen, J., Junninen, H., Mazon, S. B., Ehn, M., and Paasonen, P.: Atmospheric new particle formation from sulfuric acid and amines in a Chinese megacity, Science, 361, 278–281, https://doi.org/10.1126/science.aao4839, 2018.
Yao, L., Fan, X., Yan, C., Kurtén, T., Daellenbach, K. R., Li, C., Wang, Y., Guo, Y., Dada, L., Rissanen, M. P., Cai, J., Tham, Y. J., Zha, Q., Zhang, S., Du, W., Yu, M., Zheng, F., Zhou, Y., Kontkanen, J., Chan, T., Shen, J., Kujansuu, J. T., Kangasluoma, J., Jiang, J., Wang, L., Worsnop, D. R., Petäjä, T., Kerminen, V.-M., Liu, Y., Chu, B., He, H., Kulmala, M., and Bianchi, F.: Unprecedented Ambient Sulfur Trioxide (SO3) Detection: Possible Formation Mechanism and Atmospheric Implications, Environ. Sci. Tech. Let., 7, 809–818, https://doi.org/10.1021/acs.estlett.0c00615, 2020.
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.
Ye, J., Abbatt, J. P. D., and Chan, A. W. H.: Novel pathway of SO2 oxidation in the atmosphere: reactions with monoterpene ozonolysis intermediates and secondary organic aerosol, Atmos. Chem. Phys., 18, 5549–5565, https://doi.org/10.5194/acp-18-5549-2018, 2018.
Zhang, H., Worton, D. R., Lewandowski, M., Ortega, J., Rubitschun, C. L., Park, J.-H., Kristensen, K., Campuzano-Jost, P., Day, D. A., Jimenez, J. L., Jaoui, M., Offenberg, J. H., Kleindienst, T. E., Gilman, J., Kuster, W. C., de Gouw, J., Park, C., Schade, G. W., Frossard, A. A., Russell, L., Kaser, L., Jud, W., Hansel, A., Cappellin, L., Karl, T., Glasius, M., Guenther, A., Goldstein, A. H., Seinfeld, J. H., Gold, A., Kamens, R. M., and Surratt, J. D.: Organosulfates as Tracers for Secondary Organic Aerosol (SOA) Formation from 2-Methyl-3-Buten-2-ol (MBO) in the Atmosphere, Environ. Sci. Technol., 46, 9437–9446, https://doi.org/10.1021/es301648z, 2012.
Zhang, H., Zhang, Z., Cui, T., Lin, Y.-H., Bhathela, N. A., Ortega, J., Worton, D. R., Goldstein, A. H., Guenther, A., Jimenez, J. L., Gold, A., and Surratt, J. D.: Secondary Organic Aerosol Formation via 2-Methyl-3-buten-2-ol Photooxidation: Evidence of Acid-Catalyzed Reactive Uptake of Epoxides, Environ. Sci. Tech. Let., 1, 242–247, https://doi.org/10.1021/ez500055f, 2014.
Zhang, H., Kupiainen-Määttä, O., Zhang, X., Molinero, V., Zhang, Y., and Li, Z.: The enhancement mechanism of glycolic acid on the formation of atmospheric sulfuric acid–ammonia molecular clusters, J. Chem. Phys., 146, 184308, https://doi.org/10.1063/1.4982929, 2017.
Zhang, H., Li, H., Liu, L., Zhang, Y., Zhang, X., and Li, Z.: The potential role of malonic acid in the atmospheric sulfuric acid - Ammonia clusters formation, Chemosphere, 203, 26–33, https://doi.org/10.1016/j.chemosphere.2018.03.154, 2018.
Zhang, H., Wang, W., Li, H., Gao, R., and Xu, Y.: A theoretical study on the formation mechanism of carboxylic sulfuric anhydride and its potential role in new particle formation, RSC Adv., 12, 5501–5508, https://doi.org/10.1039/D2RA00226D, 2022.
Zhang, H. J., Wang, W., Pi, S. Q., Liu, L., Li, H., Chen, Y., Zhang, Y. H., Zhang, X. H., and Li, Z. S.: Gas phase transformation from organic acid to organic sulfuric anhydride: Possibility and atmospheric fate in the initial new particle formation, Chemosphere, 212, 504–512, https://doi.org/10.1016/j.chemosphere.2018.08.074, 2018.
Zhang, J. and Dolg, M.: ABCluster: the artificial bee colony algorithm for cluster global optimization, Phys. Chem. Chem. Phys., 17, 24173–24181, https://doi.org/10.1039/C5CP04060D, 2015.
Zhang, R.: Getting to the Critical Nucleus of Aerosol Formation, Science, 328, 1366–1367, https://doi.org/10.1126/science.1189732, 2010.
Zhang, R., Suh, I., Zhao, J., Zhang, D., Fortner, E. C., Tie, X., Molina, L. T., and Molina, M. J.: Atmospheric New Particle Formation Enhanced by Organic Acids, Science, 304, 1487–1490, https://doi.org/10.1126/science.1095139, 2004.
Zhang, R., Khalizov, A., Wang, L., Hu, M., and Xu, W.: Nucleation and Growth of Nanoparticles in the Atmosphere, Chem. Rev., 112, 1957–2011, https://doi.org/10.1021/cr2001756, 2012.
Zhang, R., Shen, J., Xie, H.-B., Chen, J., and Elm, J.: The role of organic acids in new particle formation from methanesulfonic acid and methylamine, Atmos. Chem. Phys., 22, 2639–2650, https://doi.org/10.5194/acp-22-2639-2022, 2022.
Zhang, X., Tan, S., Chen, X., and Yin, S.: Computational chemistry of cluster: Understanding the mechanism of atmospheric new particle formation at the molecular level, Chemosphere, 308, 136109, https://doi.org/10.1016/j.chemosphere.2022.136109, 2022.
Zhao, J., Smith, J. N., Eisele, F. L., Chen, M., Kuang, C., and McMurry, P. H.: Observation of neutral sulfuric acid-amine containing clusters in laboratory and ambient measurements, Atmos. Chem. Phys., 11, 10823–10836, https://doi.org/10.5194/acp-11-10823-2011, 2011.
Zhong, J., Kumar, M., Francisco, J. S., and Zeng, X. C.: Insight into Chemistry on Cloud/Aerosol Water Surfaces, Accounts Chem. Res., 51, 1229–1237, https://doi.org/10.1021/acs.accounts.8b00051, 2018.
Zhu, M., Jiang, B., Li, S., Yu, Q., Yu, X., Zhang, Y., Bi, X., Yu, J., George, C., Yu, Z., and Wang, X.: Organosulfur Compounds Formed from Heterogeneous Reaction between SO2 and Particulate-Bound Unsaturated Fatty Acids in Ambient Air, Environ. Sci. Tech. Let., 6, 318–322, https://doi.org/10.1021/acs.estlett.9b00218, 2019.
Zhuang, Y. and Pavlish, J. H.: Fate of Hazardous Air Pollutants in Oxygen-Fired Coal Combustion with Different Flue Gas Recycling, Environ. Sci. Technol., 46, 4657–4665, https://doi.org/10.1021/es300143q, 2012.
Short summary
Atmospheric new particle formation (NPF) has a significant influence on the global climate, local air quality and human health. Using a combination of quantum chemical calculations and kinetics modeling, we find that thhe gas-phase organosulfate produced from consumption of SO3 can significantly enhance SA–DMA nucleation in the polluted boundary layer, resulting in non-negligible contributions to NPF. Our findings provide important insights into organic sulfur in atmospheric aerosol formation.
Atmospheric new particle formation (NPF) has a significant influence on the global climate,...
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