Articles | Volume 21, issue 24
https://doi.org/10.5194/acp-21-18351-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-21-18351-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
17 Dec 2021
Research article |
| 17 Dec 2021
| 17 Dec 2021
Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models
Kelvin H. Bates
CORRESPONDING AUTHOR
Harvard John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA
Department of Environmental Toxicology, University of California at Davis, Davis, CA, USA
Daniel J. Jacob
Harvard John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA
School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing, China
Peter D. Ivatt
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, UK
National Centre for Atmospheric Science, Department of Chemistry, University of York, York, UK
Mat J. Evans
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, UK
National Centre for Atmospheric Science, Department of Chemistry, University of York, York, UK
Yingying Yan
Department of Atmospheric Sciences, School of Environmental Studies, China University
of Geosciences (Wuhan), Wuhan, China
Jintai Lin
Laboratory for Climate and Ocean–Atmosphere Studies, Department of Atmospheric and Oceanic Sciences, School of Physics, Peking University, Beijing, China
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This study optimizes non-methane volatile organic compound (NMVOC) emissions in China using satellite formaldehyde data from Ozone Mapping and Profiler Suite (OMPS) and Tropospheric Monitoring Instrument (TROPOMI). By applying an advanced inversion system, we produced improved NMVOC emission inventories in 2019 and 2020. The optimized results improve formaldehyde and ozone simulations in general, and a consistency analysis is further designed to assess the reliability of these two posteriors.
Tia R. Scarpelli, Elfie Roy, Daniel J. Jacob, Melissa P. Sulprizio, Ryan D. Tate, and Daniel H. Cusworth
Earth Syst. Sci. Data, 17, 7019–7033, https://doi.org/10.5194/essd-17-7019-2025, https://doi.org/10.5194/essd-17-7019-2025, 2025
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We present an update of the Global Fuel Exploitation Inventory (GFEI), a global inventory of methane emissions from oil, gas, and coal exploitation. GFEI v3 uses emissions as reported by countries in national inventories for 2020, and new infrastructure information, including a new dataset on coal mine locations. The goal of updating GFEI is to provide a more accurate spatial representation of the country-reported national inventories, allowing comparison with methane monitoring data.
Zhenzhen Niu, Shaofei Kong, Qin Yan, Yi Cheng, Huang Zheng, Yao Hu, Jian Wu, Xujing Qin, Haoyu Dong, Weisi Jiang, Yingying Yan, Wei Liu, Feng Ding, Yongqing Bai, and Shihua Qi
Earth Syst. Sci. Data, 17, 6731–6746, https://doi.org/10.5194/essd-17-6731-2025, https://doi.org/10.5194/essd-17-6731-2025, 2025
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Trichlorofluoromethane (CFC-11) is usually recognized from CFC-11 production and use sources. In this study, we established a CFC-11 emission inventory from coal combustion in China during 2000–2021. We found that CFC-11 emissions from coal combustion exhibited fluctuations and an overall upward trend, peaking in 2016, and that Hebei and Shandong had higher emissions. The CFC-11 emissions from coal combustion in the coastal regions might influence the monitored CFC-11 concentrations.
Hannah Nesser, Kevin W. Bowman, Matthew D. Thill, Daniel J. Varon, Cynthia A. Randles, Ashutosh Tewari, Felipe J. Cardoso-Saldaña, Emily Reidy, Joannes D. Maasakkers, and Daniel J. Jacob
Geosci. Model Dev., 18, 9279–9291, https://doi.org/10.5194/gmd-18-9279-2025, https://doi.org/10.5194/gmd-18-9279-2025, 2025
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Regional analyses of atmospheric trace gases can improve knowledge of fluxes at high resolution but rely on specified boundary conditions (BCs) at the domain edges. Biases in the often-uncertain BCs propagate to the inferred fluxes. We develop a framework to explain how errors in the BCs influence the optimized fluxes, derive two metrics to estimate this influence, and compare two methods to correct for the biases. We demonstrate correcting BCs directly is more effective at reducing bias.
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.
Matthew J. Rowlinson, Lucy J. Carpenter, Mat J. Evans, James D. Lee, Simone T. Andersen, Tomas Sherwen, Anna B. Callaghan, Roberto Sommariva, William Bloss, Siqi Hou, Leigh R. Crilley, Klaus Pfeilsticker, Benjamin Weyland, Thomas B. Ryerson, Patrick R. Veres, Pedro Campuzano-Jost, Hongyu Guo, Benjamin A. Nault, Jose L. Jimenez, and Khanneh Wadinga Fomba
Atmos. Chem. Phys., 25, 16945–16968, https://doi.org/10.5194/acp-25-16945-2025, https://doi.org/10.5194/acp-25-16945-2025, 2025
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HONO is key to tropospheric chemistry. Observations show high HONO concentrations in remote air, possibly explained by nitrate aerosol photolysis. We use observations to parameterize nitrate photolysis, evaluating simulated HONO against observations from multiple sources. We show improved agreement with observed HONO, but overestimates in NOx and O3, beyond observational constraints. This implies uncertainties in the NOx budget and our understanding of atmospheric chemistry.
Zhenze Liu, Ke Li, Oliver Wild, Ruth M. Doherty, Fiona M. O’Connor, and Steven T. Turnock
Atmos. Chem. Phys., 25, 16969–16981, https://doi.org/10.5194/acp-25-16969-2025, https://doi.org/10.5194/acp-25-16969-2025, 2025
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Chemistry-climate models have advanced substantially over the decades, yet they still exhibit substantial systematic biases in simulating atmospheric composition due to gaps in our understanding of underlying processes. We improve the predictions of an Earth system model using deep learning, and evaluate the performance of difference types of statistical models. We find that simulations of future surface ozone are likely to become less accurate under a warmer climate.
Andre F. Schaum, Kelvin H. Bates, Kyung-Eun Min, Faith Myers, Emmaline R. Longnecker, Manjula R. Canagaratna, Mitchell W. Alton, and Paul J. Ziemann
Aerosol Research, 3, 557–568, https://doi.org/10.5194/ar-3-557-2025, https://doi.org/10.5194/ar-3-557-2025, 2025
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Organic aerosols consist of complex chemical mixtures that are challenging to characterize using chemical ionization mass spectrometry alone. This study presents a method for coupling liquid chromatography and chemical ionization mass spectrometry for the offline analysis of organic aerosols. The evaluation of the method using standards and laboratory-generated and field-collected organic aerosols showed that it can provide detailed characterization of environmentally relevant mixtures.
Jack H. Bruno, Daniel J. Jacob, Xiaolin Wang, Melissa P. Sulprizio, Lucas A. Estrada, Daniel J. Varon, Steven C. Wofsy, Mark Omara, and Ritesh Gautam
EGUsphere, https://doi.org/10.5194/egusphere-2025-4626, https://doi.org/10.5194/egusphere-2025-4626, 2025
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We use data from both aircraft (MethaneAIR) and satellite (TROPOMI) based measurements of methane in the atmosphere to better understand methane emissions from fossil fuel extraction. Data from these instruments are combined with a computer model of the atmosphere to improve estimates of methane emissions. We find that combining data from multiple sources provides more information than either source on its own. The tools and data we use are freely available.
Keqin Tang, Haoran Zhang, Ge Xu, Fengyi Chang, Yang Xu, Ji Miao, Xian Cui, Jianbin Jin, Baojie Li, Ke Li, Hong Liao, and Nan Li
Atmos. Chem. Phys., 25, 14747–14762, https://doi.org/10.5194/acp-25-14747-2025, https://doi.org/10.5194/acp-25-14747-2025, 2025
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Our research combined satellite observations with air quality modeling to establish a high-resolution ammonia emission inventory for Eastern China. Reducing ammonia emissions could lower particulate pollution levels by 1.5–8.8 micrograms per cubic meter and reduce related health risks. Meanwhile, sensitivity simulations highlight the critical need to non-agricultural emission controls for effective particulate mitigation.
Drew C. Pendergrass, Daniel J. Jacob, Nicholas Balasus, Lucas Estrada, Daniel J. Varon, James D. East, Megan He, Todd A. Mooring, Elise Penn, Hannah Nesser, and John R. Worden
Atmos. Chem. Phys., 25, 14353–14369, https://doi.org/10.5194/acp-25-14353-2025, https://doi.org/10.5194/acp-25-14353-2025, 2025
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We use satellite observations of atmospheric methane, a greenhouse gas, to calculate emissions from both human and natural sources. We find that methane emissions surged in 2020–2021 before declining in 2022–2023. We attribute the surge in large part to emissions from eastern Africa, which experienced large methane-generating floods. Wetland models underestimate emissions in that region, which has led some previous work to incorrectly attribute the African surge in methane emissions to livestock.
Jeewoo Lee, Jhoon Kim, Seoyoung Lee, Myungje Choi, Jaehwa Lee, Daniel J. Jacob, Su Keun Kuk, and Young-Je Park
Earth Syst. Sci. Data, 17, 5761–5782, https://doi.org/10.5194/essd-17-5761-2025, https://doi.org/10.5194/essd-17-5761-2025, 2025
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Atmospheric aerosols adversely affect human health, with East Asia recognized as one of the most impacted regions. This study presents a long-term (2011–2021), high spatiotemporal resolution aerosol optical depth dataset retrieved from a geostationary satellite over East Asia. The high-resolution data capture subtle aerosol gradients and land-ocean boundaries, providing valuable input for various fields such as aerosol-cloud interaction, climate change, ocean optics, and air quality studies.
Ke Li, Rong Tan, Wenhao Qiao, Taegyung Lee, Yufen Wang, Danyuting Zhang, Minglong Tang, Wenqing Zhao, Yixuan Gu, Shaojia Fan, Jinqiang Zhang, Xiaopu Lyu, Likun Xue, Jianming Xu, Zhiqiang Ma, Mohd Talib Latif, Teerachai Amnuaylojaroen, Junsu Gil, Mee-Hye Lee, Juseon Bak, Joowan Kim, Hong Liao, Yugo Kanaya, Xiao Lu, Tatsuya Nagashima, and Ja-Ho Koo
Atmos. Chem. Phys., 25, 11575–11596, https://doi.org/10.5194/acp-25-11575-2025, https://doi.org/10.5194/acp-25-11575-2025, 2025
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East Asia and Southeast Asia have been identified as a global hot spot, with the fastest ozone increase. This paper presents the most comprehensive observational review of ozone distributions and evolution over East Asia and Southeast Asia across different spatiotemporal scales in the past two decades, which will have important implications for assessing ozone impacts on public health and crop yields and for developing future ozone control strategies.
Chenghao Xu, Jintai Lin, Hao Kong, Junli Jin, Lulu Chen, and Xiaobin Xu
Atmos. Chem. Phys., 25, 9545–9560, https://doi.org/10.5194/acp-25-9545-2025, https://doi.org/10.5194/acp-25-9545-2025, 2025
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We observed a strong increase in deseasonalized ozone at urban stations in the Tibetan Plateau from 2015 to 2019, far exceeding the trend at the baseline station Waliguan and the Tibetan Plateau average trend of four tropospheric ozone products. By combining multiple datasets and modeling approaches, we identified the main contributing factors as more frequent transport passing through the lower layers of high-emission regions and the increase in local and non-local anthropogenic emissions.
Xi Chen, Ke Li, Ting Yang, Xipeng Jin, Lei Chen, Yang Yang, Shuman Zhao, Bo Hu, Bin Zhu, Zifa Wang, and Hong Liao
Atmos. Chem. Phys., 25, 9151–9168, https://doi.org/10.5194/acp-25-9151-2025, https://doi.org/10.5194/acp-25-9151-2025, 2025
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Aerosol vertical distribution that plays a crucial role in aerosol–photolysis interaction (API) remains underrepresented in chemical models. We integrated lidar and radiosonde observations to constrain the simulated aerosol profiles over North China and quantified the photochemical responses. The increased photolysis rates in the lower layers led to increased ozone and accounted for a 36 %–56 % reduction in API effects, resulting in enhanced atmospheric oxidizing capacity and aerosol formation.
Xiao Lu, Yiming Liu, Jiayin Su, Xiang Weng, Tabish Ansari, Yuqiang Zhang, Guowen He, Yuqi Zhu, Haolin Wang, Ganquan Zeng, Jingyu Li, Cheng He, Shuai Li, Teerachai Amnuaylojaroen, Tim Butler, Qi Fan, Shaojia Fan, Grant L. Forster, Meng Gao, Jianlin Hu, Yugo Kanaya, Mohd Talib Latif, Keding Lu, Philippe Nédélec, Peer Nowack, Bastien Sauvage, Xiaobin Xu, Lin Zhang, Ke Li, Ja-Ho Koo, and Tatsuya Nagashima
Atmos. Chem. Phys., 25, 7991–8028, https://doi.org/10.5194/acp-25-7991-2025, https://doi.org/10.5194/acp-25-7991-2025, 2025
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This study analyzes summertime ozone trends in East and Southeast Asia derived from a comprehensive observational database spanning from 1995 to 2019, incorporating aircraft observations, ozonesonde data, and measurements from 2500 surface sites. Multiple models are applied to attribute to changes in anthropogenic emissions and climate. The results highlight that increases in anthropogenic emissions are the primary driver of ozone increases both in the free troposphere and at the surface.
Lucas A. Estrada, Daniel J. Varon, Melissa Sulprizio, Hannah Nesser, Zichong Chen, Nicholas Balasus, Sarah E. Hancock, Megan He, James D. East, Todd A. Mooring, Alexander Oort Alonso, Joannes D. Maasakkers, Ilse Aben, Sabour Baray, Kevin W. Bowman, John R. Worden, Felipe J. Cardoso-Saldaña, Emily Reidy, and Daniel J. Jacob
Geosci. Model Dev., 18, 3311–3330, https://doi.org/10.5194/gmd-18-3311-2025, https://doi.org/10.5194/gmd-18-3311-2025, 2025
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Reducing emissions of methane, a powerful greenhouse gas, is a top policy concern for mitigating anthropogenic climate change. The Integrated Methane Inversion (IMI) is an advanced, cloud-based software that translates satellite observations into actionable emissions data. Here we present IMI version 2.0 with vastly expanded capabilities. These updates enable a wider range of scientific and stakeholder applications from individual basin to global scales with continuous emissions monitoring.
Jie Gao, Yi Huang, Jonathon S. Wright, Ke Li, Tao Geng, and Qiurun Yu
Geosci. Model Dev., 18, 2569–2586, https://doi.org/10.5194/gmd-18-2569-2025, https://doi.org/10.5194/gmd-18-2569-2025, 2025
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The aerosol in the upper troposphere and stratosphere is highly variable, and its radiative effect is poorly understood. To estimate this effect, the radiative kernel is constructed and applied. The results show that the kernels can reproduce aerosol radiative effects and are expected to simulate stratospheric aerosol radiative effects. This approach reduces computational expense, is consistent with radiative model calculations, and can be applied to atmospheric models with speed requirements.
Yufen Wang, Ke Li, Xi Chen, Zhenjiang Yang, Minglong Tang, Pascoal M. D. Campos, Yang Yang, Xu Yue, and Hong Liao
Atmos. Chem. Phys., 25, 4455–4475, https://doi.org/10.5194/acp-25-4455-2025, https://doi.org/10.5194/acp-25-4455-2025, 2025
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The impacts of biomass burning and anthropogenic emissions on high tropospheric ozone levels are not well studied in southern Africa. We combined model simulations with recent observations at the surface and from space to quantify tropospheric ozone and its drivers in southern Africa. Our work focuses on the impact of emissions from different sources at different spatial scales, contributing to a comprehensive understanding of air pollution drivers and their uncertainties in southern Africa.
Ursula A. Jongebloed, Jacob I. Chalif, Linia Tashmim, William C. Porter, Kelvin H. Bates, Qianjie Chen, Erich C. Osterberg, Bess G. Koffman, Jihong Cole-Dai, Dominic A. Winski, David G. Ferris, Karl J. Kreutz, Cameron P. Wake, and Becky Alexander
Atmos. Chem. Phys., 25, 4083–4106, https://doi.org/10.5194/acp-25-4083-2025, https://doi.org/10.5194/acp-25-4083-2025, 2025
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Marine phytoplankton emit dimethyl sulfide (DMS), which forms methanesulfonic acid (MSA) and sulfate. MSA concentrations in ice cores decreased over the industrial era, which has been attributed to pollution-driven changes in DMS chemistry. We use a model to investigate DMS chemistry compared to observations of DMS, MSA, and sulfate. We find that modeled DMS, MSA, and sulfate are influenced by pollution-sensitive oxidant concentrations, characterization of DMS chemistry, and other variables.
Yuhang Zhang, Huan Yu, Isabelle De Smedt, Jintai Lin, Nicolas Theys, Michel Van Roozendael, Gaia Pinardi, Steven Compernolle, Ruijing Ni, Fangxuan Ren, Sijie Wang, Lulu Chen, Jos Van Geffen, Mengyao Liu, Alexander M. Cede, Martin Tiefengraber, Alexis Merlaud, Martina M. Friedrich, Andreas Richter, Ankie Piters, Vinod Kumar, Vinayak Sinha, Thomas Wagner, Yongjoo Choi, Hisahiro Takashima, Yugo Kanaya, Hitoshi Irie, Robert Spurr, Wenfu Sun, and Lorenzo Fabris
Atmos. Meas. Tech., 18, 1561–1589, https://doi.org/10.5194/amt-18-1561-2025, https://doi.org/10.5194/amt-18-1561-2025, 2025
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We developed an advanced algorithm for global retrieval of TROPOspheric Monitoring Instrument (TROPOMI) HCHO and NO2 vertical column densities with much improved consistency. Sensitivity tests demonstrate the complexity and nonlinear interactions of auxiliary parameters in the air mass factor calculation. An improved agreement is found with measurements from a global ground-based instrument network. The scientific retrieval provides a useful source of information for studies combining HCHO and NO2.
Ling Kang, Hong Liao, Ke Li, Xu Yue, Yang Yang, and Ye Wang
Atmos. Chem. Phys., 25, 3603–3621, https://doi.org/10.5194/acp-25-3603-2025, https://doi.org/10.5194/acp-25-3603-2025, 2025
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Using the model of Global Change and Air Pollution version 2.0, climate change over 2010–2045 under a carbon neutrality scenario is simulated to increase summertime maximum daily 8 h average ozone (O3) levels in eastern China, the North China Plain, and the Yangtze River Delta by 2.3, 4.7, and 3.0 ppbv, respectively. Temperature, radiation, and relative humidity are the key meteorological parameters and net chemical production is the key process in climate-driven O3 increases in eastern China.
Yujin J. Oak, Daniel J. Jacob, Drew C. Pendergrass, Ruijun Dang, Nadia K. Colombi, Heesung Chong, Seoyoung Lee, Su Keun Kuk, and Jhoon Kim
Atmos. Chem. Phys., 25, 3233–3252, https://doi.org/10.5194/acp-25-3233-2025, https://doi.org/10.5194/acp-25-3233-2025, 2025
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We analyze 2015–2023 air quality trends in South Korea using surface and satellite observations. Primary pollutants have decreased, consistent with emissions reductions. Surface O3 continues to increase and PM2.5 has decreased overall, but the nitrate component has not. O3 and PM2.5 nitrate depend on nonlinear responses from precursor emissions. Satellite data indicate a recent shift to NOx-sensitive O3 and nitrate formation, where further NOx reductions will benefit both O3 and PM2.5 pollution.
Elise Penn, Daniel J. Jacob, Zichong Chen, James D. East, Melissa P. Sulprizio, Lori Bruhwiler, Joannes D. Maasakkers, Hannah Nesser, Zhen Qu, Yuzhong Zhang, and John Worden
Atmos. Chem. Phys., 25, 2947–2965, https://doi.org/10.5194/acp-25-2947-2025, https://doi.org/10.5194/acp-25-2947-2025, 2025
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The hydroxyl radical (OH) destroys many air pollutants, including methane. Global-mean OH cannot be directly measured, and thus it is inferred with the methyl chloroform (MCF) proxy. MCF is decreasing, and a replacement is needed. We use satellite observations of methane in two spectral ranges as a proxy for OH. We find shortwave infrared observations can characterize yearly OH and its seasonality but not the latitudinal distribution. Thermal infrared observations add little information.
Hendrik Fuchs, Aaron Stainsby, Florian Berg, René Dubus, Michelle Färber, Andreas Hofzumahaus, Frank Holland, Kelvin H. Bates, Steven S. Brown, Matthew M. Coggon, Glenn S. Diskin, Georgios I. Gkatzelis, Christopher M. Jernigan, Jeff Peischl, Michael A. Robinson, Andrew W. Rollins, Nell B. Schafer, Rebecca H. Schwantes, Chelsea E. Stockwell, Patrick R. Veres, Carsten Warneke, Eleanor M. Waxman, Lu Xu, Kristen Zuraski, Andreas Wahner, and Anna Novelli
Atmos. Meas. Tech., 18, 881–895, https://doi.org/10.5194/amt-18-881-2025, https://doi.org/10.5194/amt-18-881-2025, 2025
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Significant improvements have been made to the instruments used to measure OH reactivity, which is equivalent to the sum of air pollutant concentrations. Accurate and precise measurements with a high time resolution have been achieved, allowing use on aircraft, as demonstrated during flights in the USA.
Sarah E. Hancock, Daniel J. Jacob, Zichong Chen, Hannah Nesser, Aaron Davitt, Daniel J. Varon, Melissa P. Sulprizio, Nicholas Balasus, Lucas A. Estrada, María Cazorla, Laura Dawidowski, Sebastián Diez, James D. East, Elise Penn, Cynthia A. Randles, John Worden, Ilse Aben, Robert J. Parker, and Joannes D. Maasakkers
Atmos. Chem. Phys., 25, 797–817, https://doi.org/10.5194/acp-25-797-2025, https://doi.org/10.5194/acp-25-797-2025, 2025
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We quantify 2021 methane emissions in South America at up to 25 km × 25 km resolution using satellite methane observations. We find a 55 % upward adjustment to anthropogenic emission inventories, including those reported to the UN Framework Convention on Climate Change under the Paris Agreement. Our estimates match inventories for Brazil, Bolivia, and Paraguay but are much higher for other countries. Livestock emissions (65 % of anthropogenic emissions) show the largest discrepancies.
Gregory P. Schill, Karl D. Froyd, Daniel M. Murphy, Christina J. Williamson, Charles A. Brock, Tomás Sherwen, Mat J. Evans, Eric A. Ray, Eric C. Apel, Rebecca S. Hornbrook, Alan J. Hills, Jeff Peischl, Thomas B. Ryerson, Chelsea R. Thompson, Ilann Bourgeois, Donald R. Blake, Joshua P. DiGangi, and Glenn S. Diskin
Atmos. Chem. Phys., 25, 45–71, https://doi.org/10.5194/acp-25-45-2025, https://doi.org/10.5194/acp-25-45-2025, 2025
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Using single-particle mass spectrometry, we show that trace concentrations of bromine and iodine are ubiquitous in remote tropospheric aerosol and suggest that aerosols are an important part of the global reactive iodine budget. Comparisons to a global climate model with detailed iodine chemistry are favorable in the background atmosphere; however, the model cannot replicate our measurements near the ocean surface, in biomass burning plumes, and in the stratosphere.
Li Fang, Jianbing Jin, Arjo Segers, Ke Li, Ji Xia, Wei Han, Baojie Li, Hai Xiang Lin, Lei Zhu, Song Liu, and Hong Liao
Geosci. Model Dev., 17, 8267–8282, https://doi.org/10.5194/gmd-17-8267-2024, https://doi.org/10.5194/gmd-17-8267-2024, 2024
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Model evaluations against ground observations are usually unfair. The former simulates mean status over coarse grids and the latter the surrounding atmosphere. To solve this, we proposed the new land-use-based representative (LUBR) operator that considers intra-grid variance. The LUBR operator is validated to provide insights that align with satellite measurements. The results highlight the importance of considering fine-scale urban–rural differences when comparing models and observation.
Ryan J. Pound, Lucy V. Brown, Mat J. Evans, and Lucy J. Carpenter
Atmos. Chem. Phys., 24, 9899–9921, https://doi.org/10.5194/acp-24-9899-2024, https://doi.org/10.5194/acp-24-9899-2024, 2024
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Iodine-mediated loss of ozone to the ocean surface and the subsequent emission of iodine species has a large effect on the troposphere. Here we combine recent experimental insights to develop a box model of the process, which we then parameterize and incorporate into the GEOS-Chem transport model. We find that these new insights have a small impact on the total emission of iodine but significantly change its distribution.
Yujin J. Oak, Daniel J. Jacob, Nicholas Balasus, Laura H. Yang, Heesung Chong, Junsung Park, Hanlim Lee, Gitaek T. Lee, Eunjo S. Ha, Rokjin J. Park, Hyeong-Ahn Kwon, and Jhoon Kim
Atmos. Meas. Tech., 17, 5147–5159, https://doi.org/10.5194/amt-17-5147-2024, https://doi.org/10.5194/amt-17-5147-2024, 2024
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We present an improved NO2 product from GEMS by calibrating it to TROPOMI using machine learning and by reprocessing both satellite products to adopt common NO2 profiles. Our corrected GEMS product combines the high data density of GEMS with the accuracy of TROPOMI, supporting the combined use for analyses of East Asia air quality including emissions and chemistry. This method can be extended to other species and geostationary satellites including TEMPO and Sentinel-4.
Katherine R. Travis, Benjamin A. Nault, James H. Crawford, Kelvin H. Bates, Donald R. Blake, Ronald C. Cohen, Alan Fried, Samuel R. Hall, L. Gregory Huey, Young Ro Lee, Simone Meinardi, Kyung-Eun Min, Isobel J. Simpson, and Kirk Ullman
Atmos. Chem. Phys., 24, 9555–9572, https://doi.org/10.5194/acp-24-9555-2024, https://doi.org/10.5194/acp-24-9555-2024, 2024
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Human activities result in the emission of volatile organic compounds (VOCs) that contribute to air pollution. Detailed VOC measurements were taken during a field study in South Korea. When compared to VOC inventories, large discrepancies showed underestimates from chemical products, liquefied petroleum gas, and long-range transport. Improved emissions and chemistry of these VOCs better described urban pollution. The new chemical scheme is relevant to urban areas and other VOC sources.
Haipeng Lin, Louisa K. Emmons, Elizabeth W. Lundgren, Laura Hyesung Yang, Xu Feng, Ruijun Dang, Shixian Zhai, Yunxiao Tang, Makoto M. Kelp, Nadia K. Colombi, Sebastian D. Eastham, Thibaud M. Fritz, and Daniel J. Jacob
Atmos. Chem. Phys., 24, 8607–8624, https://doi.org/10.5194/acp-24-8607-2024, https://doi.org/10.5194/acp-24-8607-2024, 2024
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Tropospheric ozone is a major air pollutant, a greenhouse gas, and a major indicator of model skill. Global atmospheric chemistry models show large differences in simulations of tropospheric ozone, but isolating sources of differences is complicated by different model environments. By implementing the GEOS-Chem model side by side to CAM-chem within a common Earth system model, we identify and evaluate specific differences between the two models and their impacts on key chemical species.
Matthew J. Rowlinson, Mat J. Evans, Lucy J. Carpenter, Katie A. Read, Shalini Punjabi, Adedayo Adedeji, Luke Fakes, Ally Lewis, Ben Richmond, Neil Passant, Tim Murrells, Barron Henderson, Kelvin H. Bates, and Detlev Helmig
Atmos. Chem. Phys., 24, 8317–8342, https://doi.org/10.5194/acp-24-8317-2024, https://doi.org/10.5194/acp-24-8317-2024, 2024
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Ethane and propane are volatile organic compounds emitted from human activities which help to form ozone, a pollutant and greenhouse gas, and also affect the chemistry of the lower atmosphere. Atmospheric models tend to do a poor job of reproducing the abundance of these compounds in the atmosphere. By using regional estimates of their emissions, rather than globally consistent estimates, we can significantly improve the simulation of ethane in the model and make some improvement for propane.
Fangxuan Ren, Jintai Lin, Chenghao Xu, Jamiu A. Adeniran, Jingxu Wang, Randall V. Martin, Aaron van Donkelaar, Melanie S. Hammer, Larry W. Horowitz, Steven T. Turnock, Naga Oshima, Jie Zhang, Susanne Bauer, Kostas Tsigaridis, Øyvind Seland, Pierre Nabat, David Neubauer, Gary Strand, Twan van Noije, Philippe Le Sager, and Toshihiko Takemura
Geosci. Model Dev., 17, 4821–4836, https://doi.org/10.5194/gmd-17-4821-2024, https://doi.org/10.5194/gmd-17-4821-2024, 2024
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We evaluate the performance of 14 CMIP6 ESMs in simulating total PM2.5 and its 5 components over China during 2000–2014. PM2.5 and its components are underestimated in almost all models, except that black carbon (BC) and sulfate are overestimated in two models, respectively. The underestimation is the largest for organic carbon (OC) and the smallest for BC. Models reproduce the observed spatial pattern for OC, sulfate, nitrate and ammonium well, yet the agreement is poorer for BC.
Laura Hyesung Yang, Daniel J. Jacob, Ruijun Dang, Yujin J. Oak, Haipeng Lin, Jhoon Kim, Shixian Zhai, Nadia K. Colombi, Drew C. Pendergrass, Ellie Beaudry, Viral Shah, Xu Feng, Robert M. Yantosca, Heesung Chong, Junsung Park, Hanlim Lee, Won-Jin Lee, Soontae Kim, Eunhye Kim, Katherine R. Travis, James H. Crawford, and Hong Liao
Atmos. Chem. Phys., 24, 7027–7039, https://doi.org/10.5194/acp-24-7027-2024, https://doi.org/10.5194/acp-24-7027-2024, 2024
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The Geostationary Environment Monitoring Spectrometer (GEMS) provides hourly measurements of NO2. We use the chemical transport model to find how emissions, chemistry, and transport drive the changes in NO2 observed by GEMS at different times of the day. In winter, the chemistry plays a minor role, and high daytime emissions dominate the diurnal variation in NO2, balanced by transport. In summer, emissions, chemistry, and transport play an important role in shaping the diurnal variation in NO2.
Drew C. Pendergrass, Daniel J. Jacob, Yujin J. Oak, Jeewoo Lee, Minseok Kim, Jhoon Kim, Seoyoung Lee, Shixian Zhai, Hitoshi Irie, and Hong Liao
Earth Syst. Sci. Data Discuss., https://doi.org/10.5194/essd-2024-172, https://doi.org/10.5194/essd-2024-172, 2024
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Fine particles suspended in the atmosphere are a major form of air pollution and an important public health burden. However, measurements of particulate matter are sparse in space and in places like East Asia monitors are established after regulatory policies to improve pollution have changed. In this paper, we use machine learning to fill in the gaps. We train an algorithm to predict pollution at the surface from the atmosphere’s opacity, then produce high resolution maps of data without gaps.
Jack H. Bruno, Dylan Jervis, Daniel J. Varon, and Daniel J. Jacob
Atmos. Meas. Tech., 17, 2625–2636, https://doi.org/10.5194/amt-17-2625-2024, https://doi.org/10.5194/amt-17-2625-2024, 2024
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Methane is a potent greenhouse gas and a current high-priority target for short- to mid-term climate change mitigation. Detection of individual methane emitters from space has become possible in recent years, and the volume of data for this task has been rapidly growing, outpacing processing capabilities. We introduce an automated approach, U-Plume, which can detect and quantify emissions from individual methane sources in high-spatial-resolution satellite data.
Hannah Nesser, Daniel J. Jacob, Joannes D. Maasakkers, Alba Lorente, Zichong Chen, Xiao Lu, Lu Shen, Zhen Qu, Melissa P. Sulprizio, Margaux Winter, Shuang Ma, A. Anthony Bloom, John R. Worden, Robert N. Stavins, and Cynthia A. Randles
Atmos. Chem. Phys., 24, 5069–5091, https://doi.org/10.5194/acp-24-5069-2024, https://doi.org/10.5194/acp-24-5069-2024, 2024
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We quantify 2019 methane emissions in the contiguous US (CONUS) at a ≈ 25 km × 25 km resolution using satellite methane observations. We find a 13 % upward correction to the 2023 US Environmental Protection Agency (EPA) Greenhouse Gas Emissions Inventory (GHGI) for 2019, with large corrections to individual states, urban areas, and landfills. This may present a challenge for US climate policies and goals, many of which target significant reductions in methane emissions.
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.
Kelvin H. Bates, Mathew J. Evans, Barron H. Henderson, and Daniel J. Jacob
Geosci. Model Dev., 17, 1511–1524, https://doi.org/10.5194/gmd-17-1511-2024, https://doi.org/10.5194/gmd-17-1511-2024, 2024
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Accurate representation of rates and products of chemical reactions in atmospheric models is crucial for simulating concentrations of pollutants and climate forcers. We update the widely used GEOS-Chem atmospheric chemistry model with reaction parameters from recent compilations of experimental data and demonstrate the implications for key atmospheric chemical species. The updates decrease tropospheric CO mixing ratios and increase stratospheric nitrogen oxide mixing ratios, among other changes.
Matthew M. Coggon, Chelsea E. Stockwell, Megan S. Claflin, Eva Y. Pfannerstill, Lu Xu, Jessica B. Gilman, Julia Marcantonio, Cong Cao, Kelvin Bates, Georgios I. Gkatzelis, Aaron Lamplugh, Erin F. Katz, Caleb Arata, Eric C. Apel, Rebecca S. Hornbrook, Felix Piel, Francesca Majluf, Donald R. Blake, Armin Wisthaler, Manjula Canagaratna, Brian M. Lerner, Allen H. Goldstein, John E. Mak, and Carsten Warneke
Atmos. Meas. Tech., 17, 801–825, https://doi.org/10.5194/amt-17-801-2024, https://doi.org/10.5194/amt-17-801-2024, 2024
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Mass spectrometry is a tool commonly used to measure air pollutants. This study evaluates measurement artifacts produced in the proton-transfer-reaction mass spectrometer. We provide methods to correct these biases and better measure compounds that degrade air quality.
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.
Yuhang Zhang, Jintai Lin, Jhoon Kim, Hanlim Lee, Junsung Park, Hyunkee Hong, Michel Van Roozendael, Francois Hendrick, Ting Wang, Pucai Wang, Qin He, Kai Qin, Yongjoo Choi, Yugo Kanaya, Jin Xu, Pinhua Xie, Xin Tian, Sanbao Zhang, Shanshan Wang, Siyang Cheng, Xinghong Cheng, Jianzhong Ma, Thomas Wagner, Robert Spurr, Lulu Chen, Hao Kong, and Mengyao Liu
Atmos. Meas. Tech., 16, 4643–4665, https://doi.org/10.5194/amt-16-4643-2023, https://doi.org/10.5194/amt-16-4643-2023, 2023
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Our tropospheric NO2 vertical column density product with high spatiotemporal resolution is based on the Geostationary Environment Monitoring Spectrometer (GEMS) and named POMINO–GEMS. Strong hotspot signals and NO2 diurnal variations are clearly seen. Validations with multiple satellite products and ground-based, mobile car and surface measurements exhibit the overall great performance of the POMINO–GEMS product, indicating its capability for application in environmental studies.
Jun-Wei Xu, Jintai Lin, Dan Tong, and Lulu Chen
Atmos. Chem. Phys., 23, 10075–10089, https://doi.org/10.5194/acp-23-10075-2023, https://doi.org/10.5194/acp-23-10075-2023, 2023
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This study highlights the necessity of a low-carbon pathway in foreign countries for China to achieve air quality goals and to protect public health. We find that adopting the low-carbon instead of the fossil-fuel-intensive pathway in foreign countries would prevent 63 000–270 000 transboundary PM2.5-associated mortalities in China in 2060. Our study provides direct evidence of the necessity of inter-regional cooperation for air quality improvement.
Li Fang, Jianbing Jin, Arjo Segers, Hong Liao, Ke Li, Bufan Xu, Wei Han, Mijie Pang, and Hai Xiang Lin
Geosci. Model Dev., 16, 4867–4882, https://doi.org/10.5194/gmd-16-4867-2023, https://doi.org/10.5194/gmd-16-4867-2023, 2023
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Machine learning models have gained great popularity in air quality prediction. However, they are only available at air quality monitoring stations. In contrast, chemical transport models (CTM) provide predictions that are continuous in the 3D field. Owing to complex error sources, they are typically biased. In this study, we proposed a gridded prediction with high accuracy by fusing predictions from our regional feature selection machine learning prediction (RFSML v1.0) and a CTM prediction.
Drew C. Pendergrass, Daniel J. Jacob, Hannah Nesser, Daniel J. Varon, Melissa Sulprizio, Kazuyuki Miyazaki, and Kevin W. Bowman
Geosci. Model Dev., 16, 4793–4810, https://doi.org/10.5194/gmd-16-4793-2023, https://doi.org/10.5194/gmd-16-4793-2023, 2023
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We have built a tool called CHEEREIO that allows scientists to use observations of pollutants or gases in the atmosphere, such as from satellites or surface stations, to update supercomputer models that simulate the Earth. CHEEREIO uses the difference between the model simulations of the atmosphere and real-world observations to come up with a good guess for the actual composition of our atmosphere, the true emissions of various pollutants, and whatever else they may want to study.
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.
Nicholas Balasus, Daniel J. Jacob, Alba Lorente, Joannes D. Maasakkers, Robert J. Parker, Hartmut Boesch, Zichong Chen, Makoto M. Kelp, Hannah Nesser, and Daniel J. Varon
Atmos. Meas. Tech., 16, 3787–3807, https://doi.org/10.5194/amt-16-3787-2023, https://doi.org/10.5194/amt-16-3787-2023, 2023
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We use machine learning to remove biases in TROPOMI satellite observations of atmospheric methane, with GOSAT observations serving as a reference. We find that the TROPOMI biases relative to GOSAT are related to the presence of aerosols and clouds, the surface brightness, and the specific detector that makes the observation aboard TROPOMI. The resulting blended TROPOMI+GOSAT product is more reliable for quantifying methane emissions.
Daniel J. Varon, Daniel J. Jacob, Benjamin Hmiel, Ritesh Gautam, David R. Lyon, Mark Omara, Melissa Sulprizio, Lu Shen, Drew Pendergrass, Hannah Nesser, Zhen Qu, Zachary R. Barkley, Natasha L. Miles, Scott J. Richardson, Kenneth J. Davis, Sudhanshu Pandey, Xiao Lu, Alba Lorente, Tobias Borsdorff, Joannes D. Maasakkers, and Ilse Aben
Atmos. Chem. Phys., 23, 7503–7520, https://doi.org/10.5194/acp-23-7503-2023, https://doi.org/10.5194/acp-23-7503-2023, 2023
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We use TROPOMI satellite observations to quantify weekly methane emissions from the US Permian oil and gas basin from May 2018 to October 2020. We find that Permian emissions are highly variable, with diverse economic and activity drivers. The most important drivers during our study period were new well development and natural gas price. Permian methane intensity averaged 4.6 % and decreased by 1 % per year.
Ruijun Dang, Daniel J. Jacob, Viral Shah, Sebastian D. Eastham, Thibaud M. Fritz, Loretta J. Mickley, Tianjia Liu, Yi Wang, and Jun Wang
Atmos. Chem. Phys., 23, 6271–6284, https://doi.org/10.5194/acp-23-6271-2023, https://doi.org/10.5194/acp-23-6271-2023, 2023
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We use the GEOS-Chem model to better understand the magnitude and trend in free tropospheric NO2 over the contiguous US. Model underestimate of background NO2 is largely corrected by considering aerosol nitrate photolysis. Increase in aircraft emissions affects satellite retrievals by altering the NO2 shape factor, and this effect is expected to increase in future. We show the importance of properly accounting for the free tropospheric background in interpreting NO2 observations from space.
Zichong Chen, Daniel J. Jacob, Ritesh Gautam, Mark Omara, Robert N. Stavins, Robert C. Stowe, Hannah Nesser, Melissa P. Sulprizio, Alba Lorente, Daniel J. Varon, Xiao Lu, Lu Shen, Zhen Qu, Drew C. Pendergrass, and Sarah Hancock
Atmos. Chem. Phys., 23, 5945–5967, https://doi.org/10.5194/acp-23-5945-2023, https://doi.org/10.5194/acp-23-5945-2023, 2023
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We quantify methane emissions from individual countries in the Middle East and North Africa by inverse analysis of 2019 TROPOMI satellite observations of atmospheric methane. We show that the ability to simply relate oil/gas emissions to activity metrics is compromised by stochastic nature of local infrastructure and management practices. We find that the industry target for oil/gas methane intensity is achievable through associated gas capture, modern infrastructure, and centralized operations.
Pengwei Li, Yang Yang, Hailong Wang, Su Li, Ke Li, Pinya Wang, Baojie Li, and Hong Liao
Atmos. Chem. Phys., 23, 5403–5417, https://doi.org/10.5194/acp-23-5403-2023, https://doi.org/10.5194/acp-23-5403-2023, 2023
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We use a novel technique that can attribute O3 to precursors to investigate O3 changes in the United States during 1995–2019. We found that the US domestic energy and surface transportation emission reductions are primarily responsible for the O3 decrease in summer. In winter, factors such as nitrogen oxide emission reduction in the context of its inhibition of ozone production, increased aviation and shipping activities, and large-scale circulation changes contribute to the O3 increases.
Shixian Zhai, Daniel J. Jacob, Drew C. Pendergrass, Nadia K. Colombi, Viral Shah, Laura Hyesung Yang, Qiang Zhang, Shuxiao Wang, Hwajin Kim, Yele Sun, Jin-Soo Choi, Jin-Soo Park, Gan Luo, Fangqun Yu, Jung-Hun Woo, Younha Kim, Jack E. Dibb, Taehyoung Lee, Jin-Seok Han, Bruce E. Anderson, Ke Li, and Hong Liao
Atmos. Chem. Phys., 23, 4271–4281, https://doi.org/10.5194/acp-23-4271-2023, https://doi.org/10.5194/acp-23-4271-2023, 2023
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Anthropogenic fugitive dust in East Asia not only causes severe coarse particulate matter air pollution problems, but also affects fine particulate nitrate. Due to emission control efforts, coarse PM decreased steadily. We find that the decrease of coarse PM is a major driver for a lack of decrease of fine particulate nitrate, as it allows more nitric acid to form fine particulate nitrate. The continuing decrease of coarse PM requires more stringent ammonia and nitrogen oxides emission controls.
Nadia K. Colombi, Daniel J. Jacob, Laura Hyesung Yang, Shixian Zhai, Viral Shah, Stuart K. Grange, Robert M. Yantosca, Soontae Kim, and Hong Liao
Atmos. Chem. Phys., 23, 4031–4044, https://doi.org/10.5194/acp-23-4031-2023, https://doi.org/10.5194/acp-23-4031-2023, 2023
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Surface ozone, detrimental to human and ecosystem health, is very high and increasing in South Korea. Using a global model of the atmosphere, we found that emissions from South Korea and China contribute equally to the high ozone observed. We found that in the absence of all anthropogenic emissions over East Asia, ozone is still very high, implying that the air quality standard in South Korea is not practically achievable unless this background external to East Asia can be decreased.
Jun-Wei Xu, Jintai Lin, Gan Luo, Jamiu Adeniran, and Hao Kong
Atmos. Chem. Phys., 23, 4149–4163, https://doi.org/10.5194/acp-23-4149-2023, https://doi.org/10.5194/acp-23-4149-2023, 2023
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Research on the sources of Chinese PM2.5 pollution has focused on the contributions of China’s domestic emissions. However, the impact of foreign anthropogenic emissions has typically been simplified or neglected. Here we find that foreign anthropogenic emissions play an important role in Chinese PM2.5 pollution through chemical interactions between foreign-transported pollutants and China’s local emissions. Thus, foreign emission reductions are essential for improving Chinese air quality.
Chi Li, Randall V. Martin, Ronald C. Cohen, Liam Bindle, Dandan Zhang, Deepangsu Chatterjee, Hongjian Weng, and Jintai Lin
Atmos. Chem. Phys., 23, 3031–3049, https://doi.org/10.5194/acp-23-3031-2023, https://doi.org/10.5194/acp-23-3031-2023, 2023
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Models are essential to diagnose the significant effects of nitrogen oxides (NOx) on air pollution. We use an air quality model to illustrate the variability of NOx resolution-dependent simulation biases; how these biases depend on specific chemical environments, driving mechanisms, and vertical variabilities; and how these biases affect the interpretation of satellite observations. High-resolution simulations are thus critical to accurately interpret NOx and its relevance to air quality.
Laura Hyesung Yang, Daniel J. Jacob, Nadia K. Colombi, Shixian Zhai, Kelvin H. Bates, Viral Shah, Ellie Beaudry, Robert M. Yantosca, Haipeng Lin, Jared F. Brewer, Heesung Chong, Katherine R. Travis, James H. Crawford, Lok N. Lamsal, Ja-Ho Koo, and Jhoon Kim
Atmos. Chem. Phys., 23, 2465–2481, https://doi.org/10.5194/acp-23-2465-2023, https://doi.org/10.5194/acp-23-2465-2023, 2023
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A geostationary satellite can now provide hourly NO2 vertical columns, and obtaining the NO2 vertical columns from space relies on NO2 vertical distribution from the chemical transport model (CTM). In this work, we update the CTM to better represent the chemistry environment so that the CTM can accurately provide NO2 vertical distribution. We also find that the changes in NO2 vertical distribution driven by a change in mixing depth play an important role in the NO2 column's diurnal variation.
Viral Shah, Daniel J. Jacob, Ruijun Dang, Lok N. Lamsal, Sarah A. Strode, Stephen D. Steenrod, K. Folkert Boersma, Sebastian D. Eastham, Thibaud M. Fritz, Chelsea Thompson, Jeff Peischl, Ilann Bourgeois, Ilana B. Pollack, Benjamin A. Nault, Ronald C. Cohen, Pedro Campuzano-Jost, Jose L. Jimenez, Simone T. Andersen, Lucy J. Carpenter, Tomás Sherwen, and Mat J. Evans
Atmos. Chem. Phys., 23, 1227–1257, https://doi.org/10.5194/acp-23-1227-2023, https://doi.org/10.5194/acp-23-1227-2023, 2023
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NOx in the free troposphere (above 2 km) affects global tropospheric chemistry and the retrieval and interpretation of satellite NO2 measurements. We evaluate free tropospheric NOx in global atmospheric chemistry models and find that recycling NOx from its reservoirs over the oceans is faster than that simulated in the models, resulting in increases in simulated tropospheric ozone and OH. Over the U.S., free tropospheric NO2 contributes the majority of the tropospheric NO2 column in summer.
Huimin Li, Yang Yang, Jianbing Jin, Hailong Wang, Ke Li, Pinya Wang, and Hong Liao
Atmos. Chem. Phys., 23, 1131–1145, https://doi.org/10.5194/acp-23-1131-2023, https://doi.org/10.5194/acp-23-1131-2023, 2023
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Future climate change will aggravate ozone pollution in Asia, especially in high-forcing scenarios. Ozone pollution in China will expand from North China to South China and extend into the cold season in a warmer future. The emphasis of this work is to quantify the impacts of future climate change on O3 pollution in Asia, which is of great significance for future O3 pollution mitigation strategies.
Huibin Dai, Hong Liao, Ke Li, Xu Yue, Yang Yang, Jia Zhu, Jianbing Jin, Baojie Li, and Xingwen Jiang
Atmos. Chem. Phys., 23, 23–39, https://doi.org/10.5194/acp-23-23-2023, https://doi.org/10.5194/acp-23-23-2023, 2023
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We apply the 3-D global chemical transport model (GEOS-Chem) to simulate co-polluted days by O3 and PM2.5 (O3–PM2.5PDs) in Beijing–Tianjin–Hebei in 2013–2020 and investigate the chemical and physical characteristics of O3–PM2.5PDs by composited analyses of such days that are captured by both the observations and the model. We report for the first time the unique features in vertical distributions of aerosols during O3–PM2.5PDs and the physical and chemical characteristics of O3–PM2.5PDs.
Randall V. Martin, Sebastian D. Eastham, Liam Bindle, Elizabeth W. Lundgren, Thomas L. Clune, Christoph A. Keller, William Downs, Dandan Zhang, Robert A. Lucchesi, Melissa P. Sulprizio, Robert M. Yantosca, Yanshun Li, Lucas Estrada, William M. Putman, Benjamin M. Auer, Atanas L. Trayanov, Steven Pawson, and Daniel J. Jacob
Geosci. Model Dev., 15, 8731–8748, https://doi.org/10.5194/gmd-15-8731-2022, https://doi.org/10.5194/gmd-15-8731-2022, 2022
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Atmospheric chemistry models must be able to operate both online as components of Earth system models and offline as standalone models. The widely used GEOS-Chem model operates both online and offline, but the classic offline version is not suitable for massively parallel simulations. We describe a new generation of the offline high-performance GEOS-Chem (GCHP) that enables high-resolution simulations on thousands of cores, including on the cloud, with improved access, performance, and accuracy.
Thibaud M. Fritz, Sebastian D. Eastham, Louisa K. Emmons, Haipeng Lin, Elizabeth W. Lundgren, Steve Goldhaber, Steven R. H. Barrett, and Daniel J. Jacob
Geosci. Model Dev., 15, 8669–8704, https://doi.org/10.5194/gmd-15-8669-2022, https://doi.org/10.5194/gmd-15-8669-2022, 2022
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We bring the state-of-the-science chemistry module GEOS-Chem into the Community Earth System Model (CESM). We show that some known differences between results from GEOS-Chem and CESM's CAM-chem chemistry module may be due to the configuration of model meteorology rather than inherent differences in the model chemistry. This is a significant step towards a truly modular Earth system model and allows two strong but currently separate research communities to benefit from each other's advances.
Yi Cheng, Shaofei Kong, Liquan Yao, Huang Zheng, Jian Wu, Qin Yan, Shurui Zheng, Yao Hu, Zhenzhen Niu, Yingying Yan, Zhenxing Shen, Guofeng Shen, Dantong Liu, Shuxiao Wang, and Shihua Qi
Earth Syst. Sci. Data, 14, 4757–4775, https://doi.org/10.5194/essd-14-4757-2022, https://doi.org/10.5194/essd-14-4757-2022, 2022
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This work establishes the first emission inventory of carbonaceous aerosols from cooking, fireworks, sacrificial incense, joss paper burning, and barbecue, using multi-source datasets and tested emission factors. These emissions were concentrated in specific periods and areas. Positive and negative correlations between income and emissions were revealed in urban and rural regions. The dataset will be helpful for improving modeling studies and modifying corresponding emission control policies.
Haolin Wang, Xiao Lu, Daniel J. Jacob, Owen R. Cooper, Kai-Lan Chang, Ke Li, Meng Gao, Yiming Liu, Bosi Sheng, Kai Wu, Tongwen Wu, Jie Zhang, Bastien Sauvage, Philippe Nédélec, Romain Blot, and Shaojia Fan
Atmos. Chem. Phys., 22, 13753–13782, https://doi.org/10.5194/acp-22-13753-2022, https://doi.org/10.5194/acp-22-13753-2022, 2022
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We report significant global tropospheric ozone increases in 1995–2017 based on extensive aircraft and ozonesonde observations. Using GEOS-Chem (Goddard Earth Observing System chemistry model) multi-decadal global simulations, we find that changes in global anthropogenic emissions, in particular the rapid increases in aircraft emissions, contribute significantly to the increases in tropospheric ozone and resulting radiative impact.
Lu Shen, Ritesh Gautam, Mark Omara, Daniel Zavala-Araiza, Joannes D. Maasakkers, Tia R. Scarpelli, Alba Lorente, David Lyon, Jianxiong Sheng, Daniel J. Varon, Hannah Nesser, Zhen Qu, Xiao Lu, Melissa P. Sulprizio, Steven P. Hamburg, and Daniel J. Jacob
Atmos. Chem. Phys., 22, 11203–11215, https://doi.org/10.5194/acp-22-11203-2022, https://doi.org/10.5194/acp-22-11203-2022, 2022
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We use 22 months of TROPOMI satellite observations to quantity methane emissions from the oil (O) and natural gas (G) sector in the US and Canada at the scale of both individual basins as well as country-wide aggregates. We find that O/G-related methane emissions are underestimated in these inventories by 80 % for the US and 40 % for Canada, and 70 % of the underestimate in the US is from five O/G basins, including Permian, Haynesville, Anadarko, Eagle Ford, and Barnett.
Zichong Chen, Daniel J. Jacob, Hannah Nesser, Melissa P. Sulprizio, Alba Lorente, Daniel J. Varon, Xiao Lu, Lu Shen, Zhen Qu, Elise Penn, and Xueying Yu
Atmos. Chem. Phys., 22, 10809–10826, https://doi.org/10.5194/acp-22-10809-2022, https://doi.org/10.5194/acp-22-10809-2022, 2022
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We quantify methane emissions in China and contributions from different sectors by inverse analysis of 2019 TROPOMI satellite observations of atmospheric methane. We find that anthropogenic methane emissions for China are underestimated in the national inventory. Our estimate of emissions indicates a small life-cycle loss rate, implying net climate benefits from the current
coal-to-gasenergy transition in China. However, this small loss rate can be misleading given China's high gas imports.
Daniel C. Anderson, Melanie B. Follette-Cook, Sarah A. Strode, Julie M. Nicely, Junhua Liu, Peter D. Ivatt, and Bryan N. Duncan
Geosci. Model Dev., 15, 6341–6358, https://doi.org/10.5194/gmd-15-6341-2022, https://doi.org/10.5194/gmd-15-6341-2022, 2022
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The hydroxyl radical (OH) is the most important chemical in the atmosphere for removing certain pollutants, including methane, the second-most-important greenhouse gas. We present a methodology to create an easily modifiable parameterization that can calculate OH concentrations in a computationally efficient way. The parameterization, which predicts OH within 5 %, can be integrated into larger climate models to allow for calculation of the interactions between OH, methane, and other chemicals.
Daniel J. Jacob, Daniel J. Varon, Daniel H. Cusworth, Philip E. Dennison, Christian Frankenberg, Ritesh Gautam, Luis Guanter, John Kelley, Jason McKeever, Lesley E. Ott, Benjamin Poulter, Zhen Qu, Andrew K. Thorpe, John R. Worden, and Riley M. Duren
Atmos. Chem. Phys., 22, 9617–9646, https://doi.org/10.5194/acp-22-9617-2022, https://doi.org/10.5194/acp-22-9617-2022, 2022
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We review the capability of satellite observations of atmospheric methane to quantify methane emissions on all scales. We cover retrieval methods, precision requirements, inverse methods for inferring emissions, source detection thresholds, and observations of system completeness. We show that current instruments already enable quantification of regional and national emissions including contributions from large point sources. Coverage and resolution will increase significantly in coming years.
Daniel J. Varon, Daniel J. Jacob, Melissa Sulprizio, Lucas A. Estrada, William B. Downs, Lu Shen, Sarah E. Hancock, Hannah Nesser, Zhen Qu, Elise Penn, Zichong Chen, Xiao Lu, Alba Lorente, Ashutosh Tewari, and Cynthia A. Randles
Geosci. Model Dev., 15, 5787–5805, https://doi.org/10.5194/gmd-15-5787-2022, https://doi.org/10.5194/gmd-15-5787-2022, 2022
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Reducing atmospheric methane emissions is critical to slow near-term climate change. Globally surveying satellite instruments like the TROPOspheric Monitoring Instrument (TROPOMI) have unique capabilities for monitoring atmospheric methane around the world. Here we present a user-friendly cloud-computing tool that enables researchers and stakeholders to quantify methane emissions across user-selected regions of interest using TROPOMI satellite observations.
John R. Worden, Daniel H. Cusworth, Zhen Qu, Yi Yin, Yuzhong Zhang, A. Anthony Bloom, Shuang Ma, Brendan K. Byrne, Tia Scarpelli, Joannes D. Maasakkers, David Crisp, Riley Duren, and Daniel J. Jacob
Atmos. Chem. Phys., 22, 6811–6841, https://doi.org/10.5194/acp-22-6811-2022, https://doi.org/10.5194/acp-22-6811-2022, 2022
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This paper is intended to accomplish two goals: 1) describe a new algorithm by which remotely sensed measurements of methane or other tracers can be used to not just quantify methane fluxes, but also attribute these fluxes to specific sources and regions and characterize their uncertainties, and 2) use this new algorithm to provide methane emissions by sector and country in support of the global stock take.
Tia R. Scarpelli, Daniel J. Jacob, Shayna Grossman, Xiao Lu, Zhen Qu, Melissa P. Sulprizio, Yuzhong Zhang, Frances Reuland, Deborah Gordon, and John R. Worden
Atmos. Chem. Phys., 22, 3235–3249, https://doi.org/10.5194/acp-22-3235-2022, https://doi.org/10.5194/acp-22-3235-2022, 2022
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We present a spatially explicit version of the national inventories of oil, gas, and coal methane emissions as submitted by individual countries to the United Nations Framework Convention on Climate Change (UNFCCC) in 2021. We then use atmospheric modeling to compare our inventory emissions to atmospheric methane observations with the goal of identifying potential under- and overestimates of oil–gas methane emissions in the national inventories.
Drew C. Pendergrass, Shixian Zhai, Jhoon Kim, Ja-Ho Koo, Seoyoung Lee, Minah Bae, Soontae Kim, Hong Liao, and Daniel J. Jacob
Atmos. Meas. Tech., 15, 1075–1091, https://doi.org/10.5194/amt-15-1075-2022, https://doi.org/10.5194/amt-15-1075-2022, 2022
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This paper uses a machine learning algorithm to infer high-resolution maps of particulate air quality in eastern China, Japan, and the Korean peninsula, using data from a geostationary satellite along with meteorology. We then perform an extensive evaluation of this inferred air quality and use it to diagnose trends in the region. We hope this paper and the associated data will be valuable to other scientists interested in epidemiology, air quality, remote sensing, and machine learning.
Lu Shen, Daniel J. Jacob, Mauricio Santillana, Kelvin Bates, Jiawei Zhuang, and Wei Chen
Geosci. Model Dev., 15, 1677–1687, https://doi.org/10.5194/gmd-15-1677-2022, https://doi.org/10.5194/gmd-15-1677-2022, 2022
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The high computational cost of chemical integration is a long-standing limitation in global atmospheric chemistry models. Here we present an adaptive and efficient algorithm that can reduce the computational time of atmospheric chemistry by 50 % and maintain the error below 2 % for important species, inspired by machine learning clustering techniques and traditional asymptotic analysis ideas.
Kelvin H. Bates, Guy J. P. Burke, James D. Cope, and Tran B. Nguyen
Atmos. Chem. Phys., 22, 1467–1482, https://doi.org/10.5194/acp-22-1467-2022, https://doi.org/10.5194/acp-22-1467-2022, 2022
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The main nighttime sink of α-pinene, a hydrocarbon abundantly emitted by plants, is reaction with NO3 to form nitrooxy peroxy radicals (nRO2). Using uniquely designed chamber experiments, we show that this reaction is a major source of organic aerosol when nRO2 reacts with other nRO2 and forms a nitrooxy hydroperoxide when nRO2 reacts with HO2. Under ambient conditions these pathways are key loss processes of atmospheric reactive nitrogen in areas with mixed biogenic and anthropogenic influence.
Xiao Lu, Daniel J. Jacob, Haolin Wang, Joannes D. Maasakkers, Yuzhong Zhang, Tia R. Scarpelli, Lu Shen, Zhen Qu, Melissa P. Sulprizio, Hannah Nesser, A. Anthony Bloom, Shuang Ma, John R. Worden, Shaojia Fan, Robert J. Parker, Hartmut Boesch, Ritesh Gautam, Deborah Gordon, Michael D. Moran, Frances Reuland, Claudia A. Octaviano Villasana, and Arlyn Andrews
Atmos. Chem. Phys., 22, 395–418, https://doi.org/10.5194/acp-22-395-2022, https://doi.org/10.5194/acp-22-395-2022, 2022
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We evaluate methane emissions and trends for 2010–2017 in the gridded national emission inventories for the United States, Canada, and Mexico by inversion of in situ and satellite methane observations. We find that anthropogenic methane emissions for all three countries are underestimated in the national inventories, largely driven by oil emissions. Anthropogenic methane emissions in the US peak in 2014, in contrast to the report of a steadily decreasing trend over 2010–2017 from the US EPA.
Sabour Baray, Daniel J. Jacob, Joannes D. Maasakkers, Jian-Xiong Sheng, Melissa P. Sulprizio, Dylan B. A. Jones, A. Anthony Bloom, and Robert McLaren
Atmos. Chem. Phys., 21, 18101–18121, https://doi.org/10.5194/acp-21-18101-2021, https://doi.org/10.5194/acp-21-18101-2021, 2021
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We use 2010–2015 surface and satellite observations to disentangle methane from anthropogenic and natural sources in Canada. Using a chemical transport model (GEOS-Chem), the mismatch between modelled and observed methane concentrations can be used to infer emissions according to Bayesian statistics. Compared to prior knowledge, we show higher anthropogenic emissions attributed to energy and/or agriculture in Western Canada and lower natural emissions from Boreal wetlands.
Yulu Qiu, Zhiqiang Ma, Ke Li, Mengyu Huang, Jiujiang Sheng, Ping Tian, Jia Zhu, Weiwei Pu, Yingxiao Tang, Tingting Han, Huaigang Zhou, and Hong Liao
Atmos. Chem. Phys., 21, 17995–18010, https://doi.org/10.5194/acp-21-17995-2021, https://doi.org/10.5194/acp-21-17995-2021, 2021
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Photochemical pollution over the North China Plain (NCP) is attracting much concern. Our observations at a rural site in the NCP identified high peroxyacetyl nitrate (PAN) concentrations, even on cold days. Increased acetaldehyde concentration and hydroxyl radical production rates drive fast PAN formation. Moreover, our study emphasizes the importance of formaldehyde photolysis in PAN formation and calls for implementing strict volatile organic compound controls after summer over the NCP.
Shixian Zhai, Daniel J. Jacob, Jared F. Brewer, Ke Li, Jonathan M. Moch, Jhoon Kim, Seoyoung Lee, Hyunkwang Lim, Hyun Chul Lee, Su Keun Kuk, Rokjin J. Park, Jaein I. Jeong, Xuan Wang, Pengfei Liu, Gan Luo, Fangqun Yu, Jun Meng, Randall V. Martin, Katherine R. Travis, Johnathan W. Hair, Bruce E. Anderson, Jack E. Dibb, Jose L. Jimenez, Pedro Campuzano-Jost, Benjamin A. Nault, Jung-Hun Woo, Younha Kim, Qiang Zhang, and Hong Liao
Atmos. Chem. Phys., 21, 16775–16791, https://doi.org/10.5194/acp-21-16775-2021, https://doi.org/10.5194/acp-21-16775-2021, 2021
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Geostationary satellite aerosol optical depth (AOD) has tremendous potential for monitoring surface fine particulate matter (PM2.5). Our study explored the physical relationship between AOD and PM2.5 by integrating data from surface networks, aircraft, and satellites with the GEOS-Chem chemical transport model. We quantitatively showed that accurate simulation of aerosol size distributions, boundary layer depths, relative humidity, coarse particles, and diurnal variations in PM2.5 are essential.
Liam Bindle, Randall V. Martin, Matthew J. Cooper, Elizabeth W. Lundgren, Sebastian D. Eastham, Benjamin M. Auer, Thomas L. Clune, Hongjian Weng, Jintai Lin, Lee T. Murray, Jun Meng, Christoph A. Keller, William M. Putman, Steven Pawson, and Daniel J. Jacob
Geosci. Model Dev., 14, 5977–5997, https://doi.org/10.5194/gmd-14-5977-2021, https://doi.org/10.5194/gmd-14-5977-2021, 2021
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Atmospheric chemistry models like GEOS-Chem are versatile tools widely used in air pollution and climate studies. The simulations used in such studies can be very computationally demanding, and thus it is useful if the model can simulate a specific geographic region at a higher resolution than the rest of the globe. Here, we implement, test, and demonstrate a new variable-resolution capability in GEOS-Chem that is suitable for simulations conducted on supercomputers.
Zhen Qu, Daniel J. Jacob, Lu Shen, Xiao Lu, Yuzhong Zhang, Tia R. Scarpelli, Hannah Nesser, Melissa P. Sulprizio, Joannes D. Maasakkers, A. Anthony Bloom, John R. Worden, Robert J. Parker, and Alba L. Delgado
Atmos. Chem. Phys., 21, 14159–14175, https://doi.org/10.5194/acp-21-14159-2021, https://doi.org/10.5194/acp-21-14159-2021, 2021
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The recent launch of TROPOMI offers an unprecedented opportunity to quantify the methane budget from a top-down perspective. We use TROPOMI and the more mature GOSAT methane observations to estimate methane emissions and get consistent global budgets. However, TROPOMI shows biases over regions where surface albedo is small and provides less information for the coarse-resolution inversion due to the larger error correlations and spatial variations in the number of observations.
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 %.
Haipeng Lin, Daniel J. Jacob, Elizabeth W. Lundgren, Melissa P. Sulprizio, Christoph A. Keller, Thibaud M. Fritz, Sebastian D. Eastham, Louisa K. Emmons, Patrick C. Campbell, Barry Baker, Rick D. Saylor, and Raffaele Montuoro
Geosci. Model Dev., 14, 5487–5506, https://doi.org/10.5194/gmd-14-5487-2021, https://doi.org/10.5194/gmd-14-5487-2021, 2021
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Emissions are a central component of atmospheric chemistry models. The Harmonized Emissions Component (HEMCO) is a software component for computing emissions from a user-selected ensemble of emission inventories and algorithms. It allows users to select, add, and scale emissions from different sources through a configuration file with no change to the model source code. We demonstrate the implementation of HEMCO in several models, all sharing the same HEMCO core code and database library.
Yi Yin, Frederic Chevallier, Philippe Ciais, Philippe Bousquet, Marielle Saunois, Bo Zheng, John Worden, A. Anthony Bloom, Robert J. Parker, Daniel J. Jacob, Edward J. Dlugokencky, and Christian Frankenberg
Atmos. Chem. Phys., 21, 12631–12647, https://doi.org/10.5194/acp-21-12631-2021, https://doi.org/10.5194/acp-21-12631-2021, 2021
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The growth of methane, the second-most important anthropogenic greenhouse gas after carbon dioxide, has been accelerating in recent years. Using an ensemble of multi-tracer atmospheric inversions constrained by surface or satellite observations, we show that global methane emissions increased by nearly 1 % per year from 2010–2017, with leading contributions from the tropics and East Asia.
Hannah Nesser, Daniel J. Jacob, Joannes D. Maasakkers, Tia R. Scarpelli, Melissa P. Sulprizio, Yuzhong Zhang, and Chris H. Rycroft
Atmos. Meas. Tech., 14, 5521–5534, https://doi.org/10.5194/amt-14-5521-2021, https://doi.org/10.5194/amt-14-5521-2021, 2021
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Analytical inversions of satellite observations of atmospheric composition can improve emissions estimates and quantify errors but are computationally expensive at high resolutions. We propose two methods to decrease this cost. The methods reproduce a high-resolution inversion at a quarter of the cost. The reduced-dimension method creates a multiscale grid. The reduced-rank method solves the inversion where information content is highest.
Cited articles
Archer-Nicholls, S., Lowe, D., Utembe, S., Allan, J., Zaveri, R. A., Fast, J. D., Hodnebrog, Ø., Denier van der Gon, H., and McFiggans, G.: Gaseous chemistry and aerosol mechanism developments for version 3.5.1 of the online regional model, WRF-Chem, Geosci. Model Dev., 7, 2557–2579, https://doi.org/10.5194/gmd-7-2557-2014, 2014. a
Archer-Nicholls, S., Abraham, N. L., Shin, Y. M., Weber, J., Russo, M. R., Lowe, D., Utembe, S., O'Connor, F. M., Kerridge, B., Latter, B., Siddans, R., Jenkin, M., Wild, O., and Archibald, A. T.: The Common Representative
Intermediates Mechanism version 2 in the United Kingdom Chemistry and Aerosols
Model, Earth and Space Science Open Archive, 49 pp., https://doi.org/10.1002/essoar.10505092.1, 2020. a
Arey, J., Obermeyer, G., Aschmann, S. M., Chattopadhyay, S., Cusick, R. D., and Atkinson, R.: Dicarbonyl products of the OH radical-initiated reaction of a series of aromatic hydrocarbons, Environ. Sci. Technol., 43, 683–689, https://doi.org/10.1021/es8019098, 2009.
Atkinson, R. and Aschmann, S. M.: Products of the gas-phase reactions of aromatic hydrocarbons: effect of NO2 concentration, Int. J. Chem. Kinet., 26, 929–944, https://doi.org/10.1002/kin.550260907, 1994.
Atkinson, R., Carter, W. P. L., and Winer, A. M.: Effects of pressure on product yields in the NOx photooxidations of selected aromatic hydrocarbons, J. Phys. Chem., 87, 1605–1610, https://doi.org/10.1021/j100232a029, 1983.
Atkinson, R., Carter, W. P. L., Plum, C. N., Winer, A. M., and Pitts Jr., J. N.: Kinetics of the gas-phase reactions of NO3 radicals with a series of aromatics at 296 ± 2 K, Int. J. Chem. Kinet., 16, 887–898, https://doi.org/10.1002/kin.550160709, 1984. a
Atkinson, R., Aschmann, S. M., Arey, J., and Carter, W. P. L.: Formation of ring-retaining products from the OH radical-initiated reactions of benzene and toluene, Int. J. Chem. Kinet., 21, 801–827, https://doi.org/10.1002/kin.550210907, 1989.
Atkinson, R., Aschmann, S. M., and Arey, J.: Formation of ring-retaining products from the OH radical-initiated reactions of o-, m-, and p-xylene, Int. J. Chem. Kinet., 23, 77–97, https://doi.org/10.1002/kin.550210907, 1991.
Baltaretu, C. O., Lichtman, E. I., Hadler, A. B., and Elrod, M. J.: Primary atmospheric oxidation mechanism for toluene, J. Phys. Chem. A, 113, 221–230, https://doi.org/10.1021/jp806841t, 2009. a
Bandow, H., Washida, N., and Akimoto, H.: Ring-cleavage reactions of aromatic hydrocarbons studied by FT-IR spectroscopy. I. Photooxidation of toluene and benzene in the NOx-air system, B. Chem. Soc. Jpn., 58, 2531–2540, https://doi.org/10.1246/bcsj.58.2531, 1985.
Barletta, B., Meinardi, S., Rowland, F. S., Chan, C.-Y., Wang, X., Zou, S., Chan, L. Y., and Blake, D. R.: Volatile organic compounds in 43 Chinese cities, Atmos. Environ., 39, 5979–5990, https://doi.org/10.1016/j.atmosenv.2005.06.029, 2005. a
Bates, K.: Code and files for “Development and evaluation of a new reduced mechanism for aromatic oxidation in atmospheric models”, V2, Harvard Dataverse [code], https://doi.org/10.7910/DVN/0UQYOI, 2021. a
Becker, K.-H., Barnes, I., Bierbach, A., Brockmann, K. J., and Kirchner, F.: Chemical Processes in Atmospheric Oxidation, Springer, Berlin, 1997.
Bejan, I., Abd El Aal, Y., Barnes, I., Benter, T., Bohn, B., Wiesen, P., and Kleffmann, J.: The photolysis of ortho-nitrophenols: a new gas phase source of HONO, Phys. Chem. Chem. Phys., 8, 2028–2035, https://doi.org/10.1039/B516590C, 2006. a
Berndt, T. and Böge, O.: Gas-phase reaction of OH radicals with benzene: products and mechanism, Phys. Chem. Chem. Phys., 3, 4946–4956, https://doi.org/10.1039/b106667f, 2001. a
Berndt, T. and Böge, O.: Formation of phenol and carbonyls from the atmospheric reaction of OH radicals with benzene, Phys. Chem. Chem. Phys., 8, 1205–1214, https://doi.org/10.1039/b514148f, 2006. a
Berndt, T., Böge, O., and Herrmann, H.: On the formation of benzene oxide/oxepin in the gas-phase reaction of OH radicals with benzene, Chem. Phys. Lett., 314, 435–442, https://doi.org/10.1016/S0009-2614(99)01041-6, 1999. a, b
Birdsall, A. W. and Elrod, M. J.: Comprehensive NO-dependent study of the products of the oxidation of atmospherically relevant aromatic compounds, J. Phys. Chem. A, 115, 5397–5407, https://doi.org/10.1021/jp2010327, 2011. a
Bjergbakke, E., Sillesen, A., and Pagsberg, P.: UV spectrum and kinetics of hydroxycyclohexadienyl radicals, J. Phys. Chem., 100, 5729–5736, https://doi.org/10.1021/jp951588c, 1996.
Bloss, C., Wagner, V., Bonzanini, A., Jenkin, M. E., Wirtz, K., Martin-Reviejo, M., and Pilling, M. J.: Evaluation of detailed aromatic mechanisms (MCMv3 and MCMv3.1) against environmental chamber data, Atmos. Chem. Phys., 5, 623–639, https://doi.org/10.5194/acp-5-623-2005, 2005a. a, b, c, d, e, f, g
Bloss, C., Wagner, V., Jenkin, M. E., Volkamer, R., Bloss, W. J., Lee, J. D., Heard, D. E., Wirtz, K., Martin-Reviejo, M., Rea, G., Wenger, J. C., and Pilling, M. J.: Development of a detailed chemical mechanism (MCMv3.1) for the atmospheric oxidation of aromatic hydrocarbons, Atmos. Chem. Phys., 5, 641–664, https://doi.org/10.5194/acp-5-641-2005, 2005b. a, b, c
Brown-Steiner, B., Selin, N. E., Prinn, R., Tilmes, S., Emmons, L., Lamarque, J.-F., and Cameron-Smith, P.: Evaluating simplified chemical mechanisms within present-day simulations of the Community Earth System Model version 1.2 with CAM4 (CESM1.2 CAM-chem): MOZART-4 vs. Reduced Hydrocarbon vs. Super-Fast chemistry, Geosci. Model Dev., 11, 4155–4174, https://doi.org/10.5194/gmd-11-4155-2018, 2018. a
Cabrera-Perez, D., Taraborrelli, D., Sander, R., and Pozzer, A.: Global atmospheric budget of simple monocyclic aromatic compounds, Atmos. Chem. Phys., 16, 6931–6947, https://doi.org/10.5194/acp-16-6931-2016, 2016. a, b, c, d
Cai, C., Kelly, J. T., Avise, J. C., Kaduwela, A. P., and Stockwell, W. R.: Photochemical Modeling in California with Two Chemical Mechanisms: Model Intercomparison and Response to Emission Reductions, J. Air Waste Manage., 61, 559–572, https://doi.org/10.3155/1047-3289.61.5.559, 2011. a
Calvert, J. G.: The mechanisms of atmospheric oxidation of aromatic hydrocarbons, Oxford University Press, Oxford, 2002. a
Carter, W. P.: A detailed mechanism for the gas-phase atmospheric reactions of organic compounds, Atmos. Environ., 24, 481–518, https://doi.org/10.1016/0960-1686(90)90005-8, 1990. a
Carter, W. P., Cocker, D. R., Fitz, D. R., Malkina, I. L., Bumiller, K., Sauer, C. G., Pisano, J. T., Bufalino, C., and Song, C.: A new environmental chamber for evaluation of gas-phase chemical mechanisms and secondary aerosol formation, Atmos. Environ., 39, 7768–7788, https://doi.org/10.1016/j.atmosenv.2005.08.040, 2005. a
Chan, A. W. H., Kautzman, K. E., Chhabra, P. S., Surratt, J. D., Chan, M. N., Crounse, J. D., Kürten, A., Wennberg, P. O., Flagan, R. C., and Seinfeld, J. H.: Secondary organic aerosol formation from photooxidation of naphthalene and alkylnaphthalenes: implications for oxidation of intermediate volatility organic compounds (IVOCs), Atmos. Chem. Phys., 9, 3049–3060, https://doi.org/10.5194/acp-9-3049-2009, 2009. a
Chan Miller, C., Jacob, D. J., González Abad, G., and Chance, K.: Hotspot of glyoxal over the Pearl River delta seen from the OMI satellite instrument: implications for emissions of aromatic hydrocarbons, Atmos. Chem. Phys., 16, 4631–4639, https://doi.org/10.5194/acp-16-4631-2016, 2016. a, b
Chance, K., Palmer, P. I., Spurr, R. J. D., Martin, R. V., Kurosu, T. P., and Jacob, D. J.: Satellite observations of formaldehyde over North America from GOME, Geophys. Res. Lett., 27, 3461–3464, https://doi.org/10.1029/2000GL011857, 2000. a
Chen, C.-L., Kacarab, M., Tang, P., and Cocker, D. R.: SOA formation from naphthalene, 1-methylnaphthalene, and 2-methylnaphthalene photooxidation, Atmos. Environ., 131, 424–433, https://doi.org/10.1016/j.atmosenv.2016.02.007, 2016. a
Chen, J., Wenger, J. C., and Venables, D. S.: Near-Ultraviolet Absorption Cross Sections of Nitrophenols and Their Potential Influence on Tropospheric Oxidation Capacity, J. Phys. Chem. A, 115, 12235–12242, https://doi.org/10.1021/jp206929r, 2011. a
Chen, S.: A comparison of chemical mechanisms based on TexAQS-2006 field data, Master's thesis, Pennsylvania State University, State College, PA, USA, 2008. a
Daescu, D., Sandu, A., and Carmichael, G.: Direct and adjoint sensitivity analysis of chemical kinetic systems with KPP: II – validation and numerical experiments, Atmos. Environ., 37, 5097–5114, https://doi.org/10.1016/j.atmosenv.2003.08.020, 2003. a
Damian, V., Sandu, A., Damian, M., Potra, F., and Carmichael, G.: The Kinetic PreProcessor (KPP) – a software environment for solving chemical kinetics, Comput. Chem. Eng., 26, 1567–1579, https://doi.org/10.1016/S0098-1354(02)00128-X, 2002. a
Duarte-Davidson, R., Courage, C., Rushton, L., and Levy, L.: Benzene in the environment: an assessment of the potential risks to the health of the population, Occup. Environ. Med., 58, 2–13, https://doi.org/10.1136/oem.58.1.2, 2001. a
Dumdei, B. E. and Kenny, D. V.: MS/MS analysis of the products of toluene photooxidation and measurement of their mutagenic activity, Environ. Sci. Technol., 22, 1493–1498, https://doi.org/10.1021/es00177a017, 1988. a, b
Emmons, L. K., Schwantes, R. H., Orlando, J. J., Tyndall, G., Kinnison, D., Lamarque, J.-F., Marsh, D., Mills, M. J., Tilmes, S., Bardeen, C., Buchholz, R. R., Conley, A., Gettelman, A., Garcia, R., Simpson, I., Blake, D. R., Meinardi, S., and Pétron, G.: The chemistry mechanism in the Community Earth System Model Version 2 (CESM2), J. Adv. Model. Earth Sy., 12, e2019MS001882, https://doi.org/10.1029/2019MS001882, 2020. a, b, c
Fischer, E. V., Jacob, D. J., Yantosca, R. M., Sulprizio, M. P., Millet, D. B., Mao, J., Paulot, F., Singh, H. B., Roiger, A., Ries, L., Talbot, R. W., Dzepina, K., and Pandey Deolal, S.: Atmospheric peroxyacetyl nitrate (PAN): a global budget and source attribution, Atmos. Chem. Phys., 14, 2679–2698, https://doi.org/10.5194/acp-14-2679-2014, 2014. a, b
Fu, T.-M., Jacob, D. J., Wittrock, F., Burrows, J. P., Vrekoussis, M., and Henze, D. K.: Global budgets of atmospheric glyoxal and methylglyoxal, and implications for formation of secondary organic aerosols, J. Geophys. Res.-Atmos., 113, D15303, https://doi.org/10.1029/2007JD009505, 2008. a, b, c
Garmash, O., Rissanen, M. P., Pullinen, I., Schmitt, S., Kausiala, O., Tillmann, R., Zhao, D., Percival, C., Bannan, T. J., Priestley, M., Hallquist, Å. M., Kleist, E., Kiendler-Scharr, A., Hallquist, M., Berndt, T., McFiggans, G., Wildt, J., Mentel, T. F., and Ehn, M.: Multi-generation OH oxidation as a source for highly oxygenated organic molecules from aromatics, Atmos. Chem. Phys., 20, 515–537, https://doi.org/10.5194/acp-20-515-2020, 2020. a, b
Gery, M. W., Fox, D. L., Jeffries, H. E., Stockburger, L., and Weathers, W. S.: A continuous stirred tank reactor investigation of the gas-phase reaction of hydroxyl radicals and toluene, Int. J. Chem. Kinet., 17, 931–955, https://doi.org/10.1002/kin.550170903, 1985.
Gómez Alvarez, E., Viidanoja, J., Muñoz, A., Wirtz, K., and Hjorth, J.: Experimental confirmation of the dicarbonyl route in the photo-oxidation of toluene and benzene, Environ. Sci. Technol., 41, 8362–8369, https://doi.org/10.1021/es0713274, 2007.
Guenther, A. B., Jiang, X., Heald, C. L., Sakulyanontvittaya, T., Duhl, T., Emmons, L. K., and Wang, X.: The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions, Geosci. Model Dev., 5, 1471–1492, https://doi.org/10.5194/gmd-5-1471-2012, 2012. a
Hildebrandt, L., Donahue, N. M., and Pandis, S. N.: High formation of secondary organic aerosol from the photo-oxidation of toluene, Atmos. Chem. Phys., 9, 2973–2986, https://doi.org/10.5194/acp-9-2973-2009, 2009. a
Hoesly, R. M., Smith, S. J., Feng, L., Klimont, Z., Janssens-Maenhout, G., Pitkanen, T., Seibert, J. J., Vu, L., Andres, R. J., Bolt, R. M., Bond, T. C., Dawidowski, L., Kholod, N., Kurokawa, J.-I., Li, M., Liu, L., Lu, Z., Moura, M. C. P., O'Rourke, P. R., and Zhang, Q.: Historical (1750–2014) anthropogenic emissions of reactive gases and aerosols from the Community Emissions Data System (CEDS), Geosci. Model Dev., 11, 369–408, https://doi.org/10.5194/gmd-11-369-2018, 2018. a
Hu, L., Keller, C. A., Long, M. S., Sherwen, T., Auer, B., Da Silva, A., Nielsen, J. E., Pawson, S., Thompson, M. A., Trayanov, A. L., Travis, K. R., Grange, S. K., Evans, M. J., and Jacob, D. J.: Global simulation of tropospheric chemistry at 12.5 km resolution: performance and evaluation of the GEOS-Chem chemical module (v10-1) within the NASA GEOS Earth system model (GEOS-5 ESM), Geosci. Model Dev., 11, 4603–4620, https://doi.org/10.5194/gmd-11-4603-2018, 2018. a
Jagiella, S. and Zabel, F.: Reaction of phenylperoxy radicals with NO2 at 298 K, Phys. Chem. Chem. Phys., 9, 5036–5051, https://doi.org/10.1039/B705193J, 2007. a, b
Jang, Y., Lee, Y., Kim, J., Kim, Y., and Woo, J.-H.: Improvement China point
source for improving bottom-up emission inventory, Asia-Pac. J. Atmos. Sci., 56, 107–118, https://doi.org/10.1007/s13143-019-00115-y, 2020. a
Jenkin, M., Watson, L., Utembe, S., and Shallcross, D.: A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 1: Gas phase mechanism development, Atmos. Environ., 42, 7185–7195, https://doi.org/10.1016/j.atmosenv.2008.07.028, 2008. a, b
Jenkin, M. E., Saunders, S. M., Derwent, R. G., and Pilling, M. J.: Development of a reduced speciated VOC degradation mechanism for use in ozone models, Atmos. Environ., 36, 4725–4734, https://doi.org/10.1016/S1352-2310(02)00563-0, 2002. a
Jenkin, M. E., Saunders, S. M., Wagner, V., and Pilling, M. J.: Protocol for the development of the Master Chemical Mechanism, MCM v3 (Part B): tropospheric degradation of aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 181–193, https://doi.org/10.5194/acp-3-181-2003, 2003. a, b, c
Ji, Y., Zhao, J., Terazono, H., Misawa, K., Levitt, N. P., Li, Y., Lin, Y., Peng, J., Wang, Y., Duan, L., Pan, B., Zhang, F., Feng, X., An, T., Marrero-Ortiz, W., Secrest, J., Zhang, A. L., Shibuya, K., Molina, M. J., and Zhang, R.: Reassessing the atmospheric oxidation mechanism of toluene, P. Natl. Acad. Sci. USA, 114, 8169–8174, https://doi.org/10.1073/pnas.1705463114, 2017.
Khan, A., Szulejko, J. E., Kim, K.-H., and Brown, R. J. C.: Airborne volatile aromatic hydrocarbons at an urban monitoring station in Korea from 2013 to 2015, J. Environ. Manage., 209, 525–538, https://doi.org/10.1016/j.jenvman.2017.12.055, 2018. a, b
Khan, M., Cooke, M. C., Utembe, S. R., Archibald, A. T., Maxwell, P., Morris, W. C., Xiao, P., Derwent, R. G., Jenkin, M. E., Percival, C. J., Walsh, R. C., Young, T. D. S., Simmonds, P. G., Nickless, G., O'Doherty, S., and Shallcross, D. E.: A study of global atmospheric budget and distribution of acetone using global atmospheric model STOCHEM-CRI, Atmos. Environ., 112, 269–277, https://doi.org/10.1016/j.atmosenv.2015.04.056, 2015. a
Kitayama, K., Morino, Y., Yamaji, K., and Chatani, S.: Uncertainties in O3 concentrations simulated by CMAQ over Japan using four chemical mechanisms, Atmos. Environ., 198, 448–462, https://doi.org/10.1016/j.atmosenv.2018.11.003, 2019. a, b
Klotz, B., Sorensen, S., Barnes, I., Becker, K.-H., Etzkorn, T., Volkamer, R., Platt, U., Wirtz, K., and Martín-Reviejo, M.: Atmospheric oxidation of toluene in a large-volume outdoor photoreactor: in situ determination of ring-retaining product yields, J. Phys. Chem. A, 102, 10289–10299, https://doi.org/10.1021/jp982719n, 1998.
Klotz, B., Volkamer, R., Hurley, M. D., Sulbaek Andersen, M. P., Nielsen, O. J., Barnes, I., Imamura, T., Wirtz, K., Becker, K.-H., Platt, U., Wallington, T. J., and Washida, N.: OH-initiated oxidation of benzene. Part I I. Influence of elevated NOx concentrations, Phys. Chem. Chem. Phys., 4, 4399–4411, https://doi.org/10.1039/b204398j, 2002. a
Knote, C., Hodzic, A., Jimenez, J. L., Volkamer, R., Orlando, J. J., Baidar, S., Brioude, J., Fast, J., Gentner, D. R., Goldstein, A. H., Hayes, P. L., Knighton, W. B., Oetjen, H., Setyan, A., Stark, H., Thalman, R., Tyndall, G., Washenfelder, R., Waxman, E., and Zhang, Q.: Simulation of semi-explicit mechanisms of SOA formation from glyoxal in aerosol in a 3-D model, Atmos. Chem. Phys., 14, 6213–6239, https://doi.org/10.5194/acp-14-6213-2014, 2014. a
Kwon, H.-A., Park, R. J., Oak, Y. J., Nowlan, C. R., Janz, S. J., Kowalewski, M. G., Fried, A., Walega, J., Bates, K. H., Choi, J., Blake, D. R., Wisthaler, A., and Woo, J.-H.: Top-down estimates of anthropogenic VOC emissions in South Korea using formaldehyde vertical column densities from aircraft during the KORUS-AQ campaign, Elementa: Science of the Anthropocene, 9, 00109, https://doi.org/10.1525/elementa.2021.00109, 2021. a
Lee, S. C., Chiu, M. Y., Ho, K. F., Zou, S. C., and Wang, X.: Volatile organic compounds (VOCs) in urban atmosphere of Hong Kong, Chemosphere, 48, 375–382, https://doi.org/10.1016/S0045-6535(02)00040-1, 2002. a
Leone, J. A., Flagan, R. C., Grosjean, D., and Seinfeld, J. H.: An outdoor smog chamber and modeling study of toluene-NOx photooxidation, Int. J. Chem. Kinet., 17, 177–216, https://doi.org/10.1002/kin.550170206, 1985.
Li, K., Jacob, D. J., Liao, H., Qiu, Y., Shen, L., Zhai, S., Bates, K. H.,
Sulprizio, M. P., Song, S., Lu, X., Zhang, Q., Zheng, B., Zhang, Y.,
Zhang, J., Lee, H. C., and Kuk, S. K.: Ozone pollution in the North China
Plain spreading into the late-winter haze season, P. Natl. Acad. Sci. USA, 118, e2015797118, https://doi.org/10.1073/pnas.2015797118, 2021. a
Lin, G., Penner, J. E., Sillman, S., Taraborrelli, D., and Lelieveld, J.: Global modeling of SOA formation from dicarbonyls, epoxides, organic nitrates and peroxides, Atmos. Chem. Phys., 12, 4743–4774, https://doi.org/10.5194/acp-12-4743-2012, 2012. a
Liu, Z., Wang, Y., Vrekoussis, M., Richter, A., Wittrock, F., Burrows, J. P., Shao, M., Chang, C.-C., Liu, S.-C., Wang, H., and Chen, C.: Exploring the missing source of glyoxal (CHOCHO) over China, Geophys. Res. Lett., 39, L10812, https://doi.org/10.1029/2012GL051645, 2012. a, b
Luecken, D. J., Napelenok, S. L., Strum, M., Scheffe, R., and Phillips, S.: Sensitivity of ambient atmospheric formaldehyde and ozone to precursor species and source types across the U.S, Environ. Sci. Technol., 52, 4668–4675, https://doi.org/10.1021/acs.est.7b05509, 2018. a
Manuela, C., Gianfranco, T., Maria, F., Tiziana, C., Carlotta, C., Giorgia, A., Assunta, C., Pia, S. M., Jean-Claude, A., Francesco, T., and Angela, S.: Assessment of occupational exposure to benzene, toluene and xylenes in urban and rural female workers, Chemosphere, 87, 813–819, https://doi.org/10.1016/j.chemosphere.2012.01.008, 2012. a
Martín-Reviejo, M. and Wirtz, K.: Is benzene a precursor for secondary organic aerosol?, Environ. Sci. Technol., 39, 1045–1054, https://doi.org/10.1021/es049802a, 2005.
Mellouki, A., Ammann, M., Cox,
R. A., Crowley, J. N., Herrmann, H., Jenkin, M. E., McNeill, V. F., Troe, J.,
and Wallington, T. J.: Evaluated kinetic and photochemical data for
atmospheric chemistry: volume VIII – gas-phase reactions of organic species
with four, or more, carbon atoms (≥C4), Atmos. Chem. Phys., 21,
4797–4808, https://doi.org/10.5194/acp-21-4797-2021, 2021. a, b
Millet, D. B., Baasandorj, M., Farmer, D. K., Thornton, J. A., Baumann, K., Brophy, P., Chaliyakunnel, S., de Gouw, J. A., Graus, M., Hu, L., Koss, A., Lee, B. H., Lopez-Hilfiker, F. D., Neuman, J. A., Paulot, F., Peischl, J., Pollack, I. B., Ryerson, T. B., Warneke, C., Williams, B. J., and Xu, J.: A large and ubiquitous source of atmospheric formic acid, Atmos. Chem. Phys., 15, 6283–6304, https://doi.org/10.5194/acp-15-6283-2015, 2015. a
Misztal, P. K., Hewitt, C. N., Wildt, J., Blande, J. D., Eller, A. S. D., Fares, S., Gentner, D. R., Gilman, J. B., Graus, M., Greenberg, J., Guenther, A. B., Hansel, A., Harley, P., Huang, M., Jardine, K., Karl, T., Kaser, L., Keutsch, F. N., Kiendler-Scharr, A., Kleist, E., Lerner, B. M., Li, T., Mak, J., Nölscher, A. C., Schnitzhofer, R., Sinha, V., Thornton, B., Warneke, C., Wegener, F., Werner, C., Williams, J., Worton, D. R., Yassaa, N., and Goldstein, A. H.: Atmospheric benzenoid emissions from plants rival those from fossil fuels, Sci. Rep.-UK, 5, 12064, https://doi.org/10.1038/srep12064, 2015. a
Molteni, U., Bianchi, F., Klein, F., El Haddad, I., Frege, C., Rossi, M. J., Dommen, J., and Baltensperger, U.: Formation of highly oxygenated organic molecules from aromatic compounds, Atmos. Chem. Phys., 18, 1909–1921, https://doi.org/10.5194/acp-18-1909-2018, 2018. a, b
Moschonas, N., Danalatos, D., and Glavas, S.: The effect of O2 and NO2 on the ring retaining products of the reaction of toluene with hydroxyl radicals, Atmos. Environ., 33, 111–116, https://doi.org/10.1016/S1352-2310(98)00134-4, 1999. a
Myriokefalitakis, S., Vrekoussis, M., Tsigaridis, K., Wittrock, F., Richter, A., Brühl, C., Volkamer, R., Burrows, J. P., and Kanakidou, M.: The influence of natural and anthropogenic secondary sources on the glyoxal global distribution, Atmos. Chem. Phys., 8, 4965–4981, https://doi.org/10.5194/acp-8-4965-2008, 2008. a
Na, K., Kim, Y. P., Moon, I., and Moon, K.-C.: Chemical composition of major VOC emission sources in the Seoul atmosphere, Chemosphere, 55, 585–594, https://doi.org/10.1016/j.chemosphere.2004.01.010, 2004. a
Nault, B. A., Campuzano-Jost, P., Day, D. A., Schroder, J. C., Anderson, B., Beyersdorf, A. J., Blake, D. R., Brune, W. H., Choi, Y., Corr, C. A., de Gouw, J. A., Dibb, J., DiGangi, J. P., Diskin, G. S., Fried, A., Huey, L. G., Kim, M. J., Knote, C. J., Lamb, K. D., Lee, T., Park, T., Pusede, S. E., Scheuer, E., Thornhill, K. L., Woo, J.-H., and Jimenez, J. L.: Secondary organic aerosol production from local emissions dominates the organic aerosol budget over Seoul, South Korea, during KORUS-AQ, Atmos. Chem. Phys., 18, 17769–17800, https://doi.org/10.5194/acp-18-17769-2018, 2018. a
Newland, M. J., Rea, G. J., Thüner, L. P., Henderson, A. P., Golding, B. T., Rickard, A. R., Barnes, I., and Wenger, J.: Photochemistry of 2-butenedial and 4-oxo-2- pentenal under atmospheric boundary layer conditions, Phys. Chem. Chem. Phys., 21, 1160–1171, https://doi.org/10.1039/c8cp06437g, 2019. a, b, c, d, e, f, g, h
Ng, N. L., Kroll, J. H., Chan, A. W. H., Chhabra, P. S., Flagan, R. C., and Seinfeld, J. H.: Secondary organic aerosol formation from m-xylene, toluene, and benzene, Atmos. Chem. Phys., 7, 3909–3922, https://doi.org/10.5194/acp-7-3909-2007, 2007. a
Nielsen, J. E., Pawson, S., Molod, A., Auer, B., da Silva, A. M., Douglass, A. R., Duncan, B., Liang, Q., Manyin, M., Oman, L. D., Putman, W., Strahan, S. E., and Wargan, K.: Chemical Mechanisms and Their Applications in the Goddard Earth Observing System (GEOS) Earth System Model, J. Adv. Model. Earth Sy., 9, 3019–3044, https://doi.org/10.1002/2017MS001011, 2017. a
Nishino, N., Arey, J., and Atkinson, R.: Formation yields of glyoxal and methylglyoxal from the gas-phase OH radical-initiated reactions of toluene, xylenes, and trimethylbenzenes as a function of NO2 concentration, J. Phys. Chem. A, 114, 10140–10147, https://doi.org/10.1021/jp105112h, 2010.
Noda, J., Volkamer, R., and Molina, M. J.: Dealkylation of alkylbenzenes: a significant pathway in the toluene, o-, m-, p-xylene + OH reaction, J. Phys. Chem. A, 113, 9658–9666, https://doi.org/10.1021/jp901529k, 2009.
Oak, Y., Park, R., Schroeder, J., Crawford, J., Blake, D., Weinheimer, A., Woo, J.-H., Kim, S.-W., Yeo, H., Fried, A., Wisthaler, A., and Brune, W.: Evaluation of simulated O3 production efficiency during the KORUS-AQ campaign: implications for anthropogenic NOx emissions in Korea, Elementa: Science of the Anthropocene, 7, 56, https://doi.org/10.1525/elementa.394, 2019. a, b, c
Orlando, J. J. and Tyndall, G. S.: Laboratory studies of organic peroxy radical chemistry: an overview with emphasis on recent issues of atmospheric significance, Chem. Soc. Rev., 41, 6294–6317, 2012. a
Porter, W. C., Safieddine, S. A., and Heald, C. L.: Impact of aromatics and monoterpenes on simulated tropospheric ozone and total OH reactivity, Atmos. Environ., 169, 250–257, https://doi.org/10.1016/j.atmosenv.2017.08.048, 2017. a, b, c, d
Praske, E., Crounse, J. D., Bates, K. H., Kurtén, T., Kjaergaard, H. G., and Wennberg, P. O.: Atmospheric fate of methyl vinyl ketone: Peroxy radical reactions with NO and HO2, J. Phys. Chem. A, 119, 4562–4572, 2015. a
Ran, L., Zhao, C., Geng, F., Tie, X., Tang, X., Peng, L., Zhou, G., Yu, Q., Xu, J., and Guenther, A.: Ozone photochemical production in urban Shanghai, China: analysis based on ground level observations, J. Geophys. Res., 114, D15301, https://doi.org/10.1029/2008JD010752, 2009. a
Reimann, S. and Lewis, A. C.: Anthropogenic VOCs, in: Volatile Organic
Compounds in the Atmosphere, chap. 2, edited by: Koppmann, R., Blackwell Publishing, Oxford, UK, 33–81, https://doi.org/10.1002/9780470988657.ch2, 2007. a
Roth, E., Chakir, A., and Ferhati, A.: Study of a benzoylperoxy radical in the gas phase: ultraviolet spectrum and C6H5C(O)O2+HO2 reaction between 295 and 357 K, J. Phys. Chem. A, 114, 10367–10379, https://doi.org/10.1021/jp1021467, 2010. a
Salta, Z., Kosmas, A. M., Segovia, M. E., Kieninger, M., Tasinato, N., Barone, V., and Ventura, O. N.: Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde, J. Phys. Chem. A, 124, 5917–5930, https://doi.org/10.1021/acs.jpca.0c03727, 2020. a
Sander, R.: Compilation of Henry's law constants (version 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399–4981, https://doi.org/10.5194/acp-15-4399-2015, 2015. a
Sander, R., Baumgaertner, A., Gromov, S., Harder, H., Jöckel, P., Kerkweg, A., Kubistin, D., Regelin, E., Riede, H., Sandu, A., Taraborrelli, D., Tost, H., and Xie, Z.-Q.: The atmospheric chemistry box model CAABA/MECCA-3.0, Geosci. Model Dev., 4, 373–380, https://doi.org/10.5194/gmd-4-373-2011, 2011. a
Sander, R., Baumgaertner, A., Cabrera-Perez, D., Frank, F., Gromov, S., Grooß, J.-U., Harder, H., Huijnen, V., Jöckel, P., Karydis, V. A., Niemeyer, K. E., Pozzer, A., Riede, H., Schultz, M. G., Taraborrelli, D., and Tauer, S.: The community atmospheric chemistry box model CAABA/MECCA-4.0, Geosci. Model Dev., 12, 1365–1385, https://doi.org/10.5194/gmd-12-1365-2019, 2019. a
Sandu, A., Daescu, D., and Carmichael, G.: Direct and adjoint sensitivity analysis of chemical kinetic systems with KPP: I – theory and software tools, Atmos. Environ., 37, 5083–5096, https://doi.org/10.1016/j.atmosenv.2003.08.019, 2003. a
Sarigiannis, D. and Gotti, A.: Biology-based dose-response models for health
risk assessment of chemical mixtures, Fresen. Environ. Bull., 17, 1439–1451,
available ata: http://search.proquest.com/docview/19629308/ (last access: 12 December 2021), 2008. a
Sarwar, G., Godowitch, J., Henderson, B. H., Fahey, K., Pouliot, G., Hutzell, W. T., Mathur, R., Kang, D., Goliff, W. S., and Stockwell, W. R.: A comparison of atmospheric composition using the Carbon Bond and Regional Atmospheric Chemistry Mechanisms, Atmos. Chem. Phys., 13, 9695–9712, https://doi.org/10.5194/acp-13-9695-2013, 2013. a
Schroeder, J., Crawford, J., Ahn, J.-Y., Chang, L., Fried, A., Walega, J., Weinheimer, A., Montzka, D., Hall, S., Ullmann, K., Wisthaler, A., Mikoviny, T., Chen, G., Blake, D., Blake, N., Hughes, S., Meinardi, S., Diskin, G., Digangi, J., Choi, Y., Pusede, S., Huey, G., Tanner, D., Kim, M., and Wennberg, P.: Observation-based modeling of ozone chemistry in the Seoul metropolitan area during the Korea-United States Air Quality Study (KORUS-AQ), Elementa: Science of the Anthropocene, 8, 3, https://doi.org/10.1525/elementa.400, 2020. a, b, c
Schwantes, R. H., Schilling, K. A., McVay, R. C., Lignell, H., Coggon, M. M., Zhang, X., Wennberg, P. O., and Seinfeld, J. H.: Formation of highly oxygenated low-volatility products from cresol oxidation, Atmos. Chem. Phys., 17, 3453–3474, https://doi.org/10.5194/acp-17-3453-2017, 2017. a, b, c, d, e, f
Seuwen, R. and Warneck, P.: Oxidation of toluene in NOx-free air: product distribution and mechanism, Int. J. Chem. Kinet., 28, 315–332, https://doi.org/10.1002/(SICI)1097-4601(1996)28:5<315::AID-KIN1>3.0.CO;2-Y, 1996.
Shareef, M. M., Husain, T., and Alharbi, B.: Studying the Effect of Different Gas-Phase Chemical Kinetic Mechanisms on the Formation of Oxidants, Nitrogen Compounds and Ozone in Arid Regions, J. Environ. Protection, 10, 1006–1031, https://doi.org/10.4236/jep.2019.108060, 2019. a, b
Shen, L., Jacob, D. J., Santillana, M., Wang, X., and Chen, W.: An adaptive method for speeding up the numerical integration of chemical mechanisms in atmospheric chemistry models: application to GEOS-Chem version 12.0.0, Geosci. Model Dev., 13, 2475–2486, https://doi.org/10.5194/gmd-13-2475-2020, 2020. a
Shepson, P. B., Edney, E. O., and Corse, E. W.: Ring fragmentation reactions on the photooxidations of toluene and o-xylene, J. Phys. Chem., 88, 4122–4126, https://doi.org/10.1021/j150662a053, 1984.
Silva, S. J., Heald, C. L., and Li, M.: Space-Based Constraints on Terrestrial Glyoxal Production, J. Geophys. Res.-Atmos., 123, 13583–13594, https://doi.org/10.1029/2018JD029311, 2018. a, b
Smith, D. F., McIver, C. D., and Kleindienst, T. E.: Primary product distribution from the reaction of hydroxyl radicals with toluene at ppb NOx mixing ratios, J. Atmos. Chem., 30, 209–228, 1998.
Stavrakou, T., Müller, J.-F., De Smedt, I., Van Roozendael, M., Kanakidou, M., Vrekoussis, M., Wittrock, F., Richter, A., and Burrows, J. P.: The continental source of glyoxal estimated by the synergistic use of spaceborne measurements and inverse modelling, Atmos. Chem. Phys., 9, 8431–8446, https://doi.org/10.5194/acp-9-8431-2009, 2009. a
Stockwell, W. R., Kirchner, F., Kuhn, M., and Seefeld, S.: A new mechanism for regional atmospheric chemistry modeling, J. Geophys. Res.-Atmos., 102, 25847–25879, https://doi.org/10.1029/97JD00849, 1997. a, b
Stockwell, W. R., Lawson, C. V., Saunders, E., and Goliff, W. S.: A Review of Tropospheric Atmospheric Chemistry and Gas-Phase Chemical Mechanisms for Air Quality Modeling, Atmosphere, 3, 1–32, https://doi.org/10.3390/atmos3010001, 2012. a
Tan, J.-H., Guo, S.-J., Ma, Y.-L., Yang, F.-M., He, K.-B., Yu, Y.-C., Wang, J.-W., Shi, Z.-B., and Chen, G.-C.: Non-methane hydrocarbons and their ozone formation potentials in Foshan, China, Aerosol Air Qual. Res., 12, 387–398, https://doi.org/10.4209/aaqr.2011.08.0127, 2012. a
Tao, Z. and Li, Z.: A kinetics study on reactions of C6H5O with C6H5O and O3 at 298 K, Int. J. Chem. Kinet., 31, 65–72, https://doi.org/10.1002/(SICI)1097-4601(1999)31:1<65::AID-KIN8>3.0.CO;2-J, 1999. a, b
Tuazon, E. C., Atkinson, R., MacLeod, H., Biermann, H. W., Winer, A. M., Carter, W. P. L., and Pitts Jr., J. N.: Yields of glyoxal and methylglyoxal from the NOx-air photooxidations of toluene and m- and p-xylene, Environ. Sci. Technol., 18, 981–984, https://doi.org/10.1021/es00130a017, 1984.
Tuazon, E. C., MacLeod, H., Atkinson, R., and Carter, W. P. L.: α-Dicarbonyl yields from the NOx-air photooxidations of a series of aromatic hydrocarbons in air, Environ. Sci. Technol., 20, 383–387, https://doi.org/10.1021/es00146a010, 1986.
Utembe, S., Cooke, M., Archibald, A., Jenkin, M., Derwent, R., and Shallcross, D.: Using a reduced Common Representative Intermediates (CRIv2-R5) mechanism to simulate tropospheric ozone in a 3-D Lagrangian chemistry transport model, Atmos. Environ., 44, 1609–1622, https://doi.org/10.1016/j.atmosenv.2010.01.044, 2010. a
van der Werf, G. R., Randerson, J. T., Giglio, L., Collatz, G. J., Mu, M., Kasibhatla, P. S., Morton, D. C., DeFries, R. S., Jin, Y., and van Leeuwen, T. T.: Global fire emissions and the contribution of deforestation, savanna, forest, agricultural, and peat fires (1997–2009), Atmos. Chem. Phys., 10, 11707–11735, https://doi.org/10.5194/acp-10-11707-2010, 2010. a
Vereecken, L.: Advances in Atmospheric Chemistry, World Scientific, Singapore, 377–527,
2018. a
Volkamer, R., Platt, U., and Wirtz, K.: Primary and secondary glyoxal formation from aromatics: experimental evidence for the bicycloalkyl-radical pathway from benzene, toluene, and p-xylene, J. Phys. Chem. A, 105, 7865–7874, https://doi.org/10.1021/jp010152w, 2001.
Wang, L., Wu, R., and Xu, C.: Atmospheric oxidation mechanism of benzene: fates of alkoxy radical intermediates and revised mechanism, J. Phys. Chem. A, 117, 14163–14168, https://doi.org/10.1021/jp4101762, 2013. a, b
Wang, S., Wu, R., Berndt, T., Ehn, M., and Wang, L.: Formation of Highly Oxidized Radicals and Multifunctional Products from the Atmospheric Oxidation of Alkylbenzenes, Environ. Sci. Technol., 51, 8442–8449, https://doi.org/10.1021/acs.est.7b02374, 2017. a, b
Wang, S., Newland, M. J., Deng, W., Rickard, A. R., Hamilton, J. F., Muñoz, A., Rádenas, M., Vázquez, M. M., Wang, L., and Wang, X.: Aromatic Photo-oxidation, A New Source of Atmospheric Acidity, Environ. Sci. Technol., 54, 7798–7806, https://doi.org/10.1021/acs.est.0c00526, 2020. a, b, c, d, e, f, g, h
Watson, L., Shallcross, D., Utembe, S., and Jenkin, M.: A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 2: Gas phase mechanism reduction, Atmos. Environ., 42, 7196–7204, https://doi.org/10.1016/j.atmosenv.2008.07.034, 2008. a, b
Wittrock, F., Richter, A., Oetjen, H., Burrows, J. P., Kanakidou, M., Myriokefalitakis, S., Volkamer, R., Beirle, S., Platt, U., and Wagner, T.: Simultaneous global observations of glyoxal and formaldehyde from space, Geophys. Res. Lett., 33, L16804, https://doi.org/10.1029/2006GL026310, 2006. a
Woo, J.-H., Choi, K.-C., Kim, H. K., Baek, B. H., Jang, M., Eum, J.-H., Song, C. H., Ma, Y.-I., Sunwoo, Y., Chang, L.-S., and Yoo, S. H.: Development of an anthropogenic emissions processing system for Asia using SMOKE, Atmos. Environ., 58, 5–13, https://doi.org/10.1016/j.atmosenv.2011.10.042, air Quality Modeling in Asia (AQMA) 2011, 2012. a
Wu, R., Pan, S., Li, Y., and Wang, L.: Atmospheric oxidation mechanism of toluene, J. Phys. Chem. A, 118, 4533–4547, https://doi.org/10.1021/jp500077f, 2014.
Xu, L., Möller, K. H., Crounse, J. D., Kjaergaard, H. G., and Wennberg, P. O.: New Insights into the Radical Chemistry and Product Distribution in the OH-Initiated Oxidation of Benzene, Environ. Sci. Technol., 54, 13467–13477, https://doi.org/10.1021/acs.est.0c04780, 2020. a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q
Yan, Y., Cabrera-Perez, D., Lin, J., Pozzer, A., Hu, L., Millet, D. B., Porter, W. C., and Lelieveld, J.: Global tropospheric effects of aromatic chemistry with the SAPRC-11 mechanism implemented in GEOS-Chem version 9-02, Geosci. Model Dev., 12, 111–130, https://doi.org/10.5194/gmd-12-111-2019, 2019. a, b, c, d, e, f, g, h
Yantosca, B.: geoschem/geos-chem: GEOS-Chem 12.3.2 (12.3.2), Zenodo [data set], https://doi.org/10.5281/zenodo.2658178, 2019. a
Yu, J. and Jeffries, H. E.: Atmospheric photooxidation of alkylbenzenes: I I. Evidence of formation of epoxide intermediates, Atmos. Environ., 31, 2281–2287, https://doi.org/10.1016/S1352-2310(97)88637-2, 1997. a
Yu, S., Mathur, R., Sarwar, G., Kang, D., Tong, D., Pouliot, G., and Pleim, J.: Eta-CMAQ air quality forecasts for O3 and related species using three different photochemical mechanisms (CB4, CB05, SAPRC-99): comparisons with measurements during the 2004 ICARTT study, Atmos. Chem. Phys., 10, 3001–3025, https://doi.org/10.5194/acp-10-3001-2010, 2010. a
Zaytsev, A., Koss, A. R., Breitenlechner, M., Krechmer, J. E., Nihill, K. J., Lim, C. Y., Rowe, J. C., Cox, J. L., Moss, J., Roscioli, J. R., Canagaratna, M. R., Worsnop, D. R., Kroll, J. H., and Keutsch, F. N.: Mechanistic study of the formation of ring-retaining and ring-opening products from the oxidation of aromatic compounds under urban atmospheric conditions, Atmos. Chem. Phys., 19, 15117–15129, https://doi.org/10.5194/acp-19-15117-2019, 2019. a, b
Zhang, Y., Chen, Y., Sarwar, G., and Schere, K.: Impact of gas-phase mechanisms on Weather Research Forecasting Model with Chemistry (WRF/Chem) predictions: Mechanism implementation and comparative evaluation, J. Geophys. Res.-Atmos., 117, D01301, https://doi.org/10.1029/2011JD015775, 2012.
a
Zheng, B., Tong, D., Li, M., Liu, F., Hong, C., Geng, G., Li, H., Li, X., Peng, L., Qi, J., Yan, L., Zhang, Y., Zhao, H., Zheng, Y., He, K., and Zhang, Q.: Trends in China's anthropogenic emissions since 2010 as the consequence of clean air actions, Atmos. Chem. Phys., 18, 14095–14111, https://doi.org/10.5194/acp-18-14095-2018, 2018. a
Short summary
Simple aromatic compounds (benzene, toluene, xylene) have complex gas-phase chemistry that is inconsistently represented in atmospheric models. We compile recent experimental and theoretical insights to develop a new mechanism for gas-phase aromatic oxidation that is sufficiently compact for use in multiscale models. We compare our new mechanism to chamber experiments and other mechanisms, and implement it in a global model to quantify the impacts of aromatic oxidation on tropospheric chemistry.
Simple aromatic compounds (benzene, toluene, xylene) have complex gas-phase chemistry that is...
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