Articles | Volume 14, issue 6
https://doi.org/10.5194/gmd-14-3407-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/gmd-14-3407-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Model description paper
| 
07 Jun 2021
Model description paper |
| 07 Jun 2021
| 07 Jun 2021
The Detailed Emissions Scaling, Isolation, and Diagnostic (DESID) module in the Community Multiscale Air Quality (CMAQ) modeling system version 5.3.2
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Christopher G. Nolte
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Fahim Sidi
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Jesse O. Bash
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
K. Wyat Appel
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Carey Jang
Office of Air Quality Planning and Standards, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Daiwen Kang
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
James Kelly
Office of Air Quality Planning and Standards, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Rohit Mathur
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Sergey Napelenok
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
George Pouliot
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
Havala O. T. Pye
Center for Environmental Measurement and Modeling, U.S. Environmental
Protection Agency, Research Triangle Park, NC 27711, USA
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Qindan Zhu, Rebecca H. Schwantes, Matthew Coggon, Colin Harkins, Jordan Schnell, Jian He, Havala O. T. Pye, Meng Li, Barry Baker, Zachary Moon, Ravan Ahmadov, Eva Y. Pfannerstill, Bryan Place, Paul Wooldridge, Benjamin C. Schulze, Caleb Arata, Anthony Bucholtz, John H. Seinfeld, Carsten Warneke, Chelsea E. Stockwell, Lu Xu, Kristen Zuraski, Michael A. Robinson, J. Andrew Neuman, Patrick R. Veres, Jeff Peischl, Steven S. Brown, Allen H. Goldstein, Ronald C. Cohen, and Brian C. McDonald
Atmos. Chem. Phys., 24, 5265–5286, https://doi.org/10.5194/acp-24-5265-2024, https://doi.org/10.5194/acp-24-5265-2024, 2024
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Volatile organic compounds (VOCs) fuel the production of air pollutants like ozone and particulate matter. The representation of VOC chemistry remains challenging due to its complexity in speciation and reactions. Here, we develop a chemical mechanism, RACM2B-VCP, that better represents VOC chemistry in urban areas such as Los Angeles. We also discuss the contribution of VOCs emitted from volatile chemical products and other anthropogenic sources to total VOC reactivity and O3.
David de la Paz, Rafael Borge, Juan Manuel de Andrés, Luis Tovar, Golam Sarwar, and Sergey L. Napelenok
Atmos. Chem. Phys., 24, 4949–4972, https://doi.org/10.5194/acp-24-4949-2024, https://doi.org/10.5194/acp-24-4949-2024, 2024
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Elyse A. Pennington, Yuan Wang, Benjamin C. Schulze, Karl M. Seltzer, Jiani Yang, Bin Zhao, Zhe Jiang, Hongru Shi, Melissa Venecek, Daniel Chau, Benjamin N. Murphy, Christopher M. Kenseth, Ryan X. Ward, Havala O. T. Pye, and John H. Seinfeld
Atmos. Chem. Phys., 24, 2345–2363, https://doi.org/10.5194/acp-24-2345-2024, https://doi.org/10.5194/acp-24-2345-2024, 2024
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To assess the air quality in Los Angeles (LA), we improved the CMAQ model by using dynamic traffic emissions and new secondary organic aerosol schemes to represent volatile chemical products. Source apportionment demonstrates that the urban areas of the LA Basin and vicinity are NOx-saturated, with the largest sensitivity of O3 to changes in volatile organic compounds in the urban core. The improvement and remaining issues shed light on the future direction of the model development.
Heather Simon, Christian Hogrefe, Andrew Whitehill, Kristen M. Foley, Jennifer Liljegren, Norm Possiel, Benjamin Wells, Barron H. Henderson, Lukas C. Valin, Gail Tonnesen, K. Wyat Appel, and Shannon Koplitz
Atmos. Chem. Phys., 24, 1855–1871, https://doi.org/10.5194/acp-24-1855-2024, https://doi.org/10.5194/acp-24-1855-2024, 2024
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We assess observed and modeled ozone weekend–weekday differences in the USA from 2002–2019. A subset of urban areas that were NOx-saturated at the beginning of the period transitioned to NOx-limited conditions. Multiple rural areas of California were NOx-limited for the entire period but become less influenced by local day-of-week emission patterns in more recent years. The model produces more NOx-saturated conditions than the observations but captures trends in weekend–weekday ozone patterns.
Benjamin N. Murphy, Darrell Sonntag, Karl M. Seltzer, Havala O. T. Pye, Christine Allen, Evan Murray, Claudia Toro, Drew R. Gentner, Cheng Huang, Shantanu Jathar, Li Li, Andrew A. May, and Allen L. Robinson
Atmos. Chem. Phys., 23, 13469–13483, https://doi.org/10.5194/acp-23-13469-2023, https://doi.org/10.5194/acp-23-13469-2023, 2023
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We update methods for calculating organic particle and vapor emissions from mobile sources in the USA. Conventionally, particulate matter (PM) and volatile organic carbon (VOC) are speciated without consideration of primary semivolatile emissions. Our methods integrate state-of-the-science speciation profiles and correct for common artifacts when sampling emissions in a laboratory. We quantify impacts of the emission updates on ambient pollution with the Community Multiscale Air Quality model.
Olivia E. Clifton, Donna Schwede, Christian Hogrefe, Jesse O. Bash, Sam Bland, Philip Cheung, Mhairi Coyle, Lisa Emberson, Johannes Flemming, Erick Fredj, Stefano Galmarini, Laurens Ganzeveld, Orestis Gazetas, Ignacio Goded, Christopher D. Holmes, László Horváth, Vincent Huijnen, Qian Li, Paul A. Makar, Ivan Mammarella, Giovanni Manca, J. William Munger, Juan L. Pérez-Camanyo, Jonathan Pleim, Limei Ran, Roberto San Jose, Sam J. Silva, Ralf Staebler, Shihan Sun, Amos P. K. Tai, Eran Tas, Timo Vesala, Tamás Weidinger, Zhiyong Wu, and Leiming Zhang
Atmos. Chem. Phys., 23, 9911–9961, https://doi.org/10.5194/acp-23-9911-2023, https://doi.org/10.5194/acp-23-9911-2023, 2023
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A primary sink of air pollutants is dry deposition. Dry deposition estimates differ across the models used to simulate atmospheric chemistry. Here, we introduce an effort to examine dry deposition schemes from atmospheric chemistry models. We provide our approach’s rationale, document the schemes, and describe datasets used to drive and evaluate the schemes. We also launch the analysis of results by evaluating against observations and identifying the processes leading to model–model differences.
Bryan K. Place, William T. Hutzell, K. Wyat Appel, Sara Farrell, Lukas Valin, Benjamin N. Murphy, Karl M. Seltzer, Golam Sarwar, Christine Allen, Ivan R. Piletic, Emma L. D'Ambro, Emily Saunders, Heather Simon, Ana Torres-Vasquez, Jonathan Pleim, Rebecca H. Schwantes, Matthew M. Coggon, Lu Xu, William R. Stockwell, and Havala O. T. Pye
Atmos. Chem. Phys., 23, 9173–9190, https://doi.org/10.5194/acp-23-9173-2023, https://doi.org/10.5194/acp-23-9173-2023, 2023
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Ground-level ozone is a pollutant with adverse human health and ecosystem effects. Air quality models allow scientists to understand the chemical production of ozone and demonstrate impacts of air quality management plans. In this work, the role of multiple systems in ozone production was investigated for the northeastern US in summer. Model updates to chemical reaction rates and monoterpene chemistry were most influential in decreasing predicted ozone and improving agreement with observations.
Christian Hogrefe, Jesse O. Bash, Jonathan E. Pleim, Donna B. Schwede, Robert C. Gilliam, Kristen M. Foley, K. Wyat Appel, and Rohit Mathur
Atmos. Chem. Phys., 23, 8119–8147, https://doi.org/10.5194/acp-23-8119-2023, https://doi.org/10.5194/acp-23-8119-2023, 2023
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Under the umbrella of the fourth phase of the Air Quality Model Evaluation International Initiative (AQMEII4), this study applies AQMEII4 diagnostic tools to better characterize how dry deposition removes pollutants from the atmosphere in the widely used CMAQ model. The results illustrate how these tools can provide insights into similarities and differences between the two CMAQ dry deposition options that affect simulated pollutant budgets and ecosystem impacts from atmospheric pollution.
Monica Crippa, Diego Guizzardi, Tim Butler, Terry Keating, Rosa Wu, Jacek Kaminski, Jeroen Kuenen, Junichi Kurokawa, Satoru Chatani, Tazuko Morikawa, George Pouliot, Jacinthe Racine, Michael D. Moran, Zbigniew Klimont, Patrick M. Manseau, Rabab Mashayekhi, Barron H. Henderson, Steven J. Smith, Harrison Suchyta, Marilena Muntean, Efisio Solazzo, Manjola Banja, Edwin Schaaf, Federico Pagani, Jung-Hun Woo, Jinseok Kim, Fabio Monforti-Ferrario, Enrico Pisoni, Junhua Zhang, David Niemi, Mourad Sassi, Tabish Ansari, and Kristen Foley
Earth Syst. Sci. Data, 15, 2667–2694, https://doi.org/10.5194/essd-15-2667-2023, https://doi.org/10.5194/essd-15-2667-2023, 2023
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This study responds to the global and regional atmospheric modelling community's need for a mosaic of air pollutant emissions with global coverage, long time series, spatially distributed data at a high time resolution, and a high sectoral resolution in order to enhance the understanding of transboundary air pollution. The mosaic approach to integrating official regional emission inventories with a global inventory based on a consistent methodology ensures policy-relevant results.
Havala O. T. Pye, Bryan K. Place, Benjamin N. Murphy, Karl M. Seltzer, Emma L. D'Ambro, Christine Allen, Ivan R. Piletic, Sara Farrell, Rebecca H. Schwantes, Matthew M. Coggon, Emily Saunders, Lu Xu, Golam Sarwar, William T. Hutzell, Kristen M. Foley, George Pouliot, Jesse Bash, and William R. Stockwell
Atmos. Chem. Phys., 23, 5043–5099, https://doi.org/10.5194/acp-23-5043-2023, https://doi.org/10.5194/acp-23-5043-2023, 2023
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Chemical mechanisms describe how emissions from vehicles, vegetation, and other sources are chemically transformed in the atmosphere to secondary products including criteria and hazardous air pollutants. The Community Regional Atmospheric Chemistry Multiphase Mechanism integrates gas-phase radical chemistry with pathways to fine-particle mass. New species were implemented, resulting in a bottom-up representation of organic aerosol, which is required for accurate source attribution of pollutants.
Qian Shu, Sergey L. Napelenok, William T. Hutzell, Kirk R. Baker, Barron H. Henderson, Benjamin N. Murphy, and Christian Hogrefe
Geosci. Model Dev., 16, 2303–2322, https://doi.org/10.5194/gmd-16-2303-2023, https://doi.org/10.5194/gmd-16-2303-2023, 2023
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Source attribution methods are generally used to determine culpability of precursor emission sources to ambient pollutant concentrations. However, source attribution of secondarily formed pollutants such as ozone and its precursors cannot be explicitly measured, making evaluation of source apportionment methods challenging. In this study, multiple apportionment approach comparisons show common features but still reveal wide variations in predicted sector contribution and species dependency.
Forwood Wiser, Bryan K. Place, Siddhartha Sen, Havala O. T. Pye, Benjamin Yang, Daniel M. Westervelt, Daven K. Henze, Arlene M. Fiore, and V. Faye McNeill
Geosci. Model Dev., 16, 1801–1821, https://doi.org/10.5194/gmd-16-1801-2023, https://doi.org/10.5194/gmd-16-1801-2023, 2023
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We developed a reduced model of atmospheric isoprene oxidation, AMORE-Isoprene 1.0. It was created using a new Automated Model Reduction (AMORE) method designed to simplify complex chemical mechanisms with minimal manual adjustments to the output. AMORE-Isoprene 1.0 has improved accuracy and similar size to other reduced isoprene mechanisms. When included in the CRACMM mechanism, it improved the accuracy of EPA’s CMAQ model predictions for the northeastern USA compared to observations.
John T. Walker, Xi Chen, Zhiyong Wu, Donna Schwede, Ryan Daly, Aleksandra Djurkovic, A. Christopher Oishi, Eric Edgerton, Jesse Bash, Jennifer Knoepp, Melissa Puchalski, John Iiames, and Chelcy F. Miniat
Biogeosciences, 20, 971–995, https://doi.org/10.5194/bg-20-971-2023, https://doi.org/10.5194/bg-20-971-2023, 2023
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Better estimates of atmospheric nitrogen (N) deposition are needed to accurately assess ecosystem risk and impacts from deposition of nutrients and acidity. Using measurements and modeling, we estimate total N deposition of 6.7 kg N ha−1 yr−1 at a forest site in the southern Appalachian Mountains, a region sensitive to atmospheric deposition. Reductions in deposition of reduced forms of N (ammonia and ammonium) will be needed to meet the lowest estimates of N critical loads for the region.
James D. East, Barron H. Henderson, Sergey L. Napelenok, Shannon N. Koplitz, Golam Sarwar, Robert Gilliam, Allen Lenzen, Daniel Q. Tong, R. Bradley Pierce, and Fernando Garcia-Menendez
Atmos. Chem. Phys., 22, 15981–16001, https://doi.org/10.5194/acp-22-15981-2022, https://doi.org/10.5194/acp-22-15981-2022, 2022
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We present a framework that uses a computer model of air quality, along with air pollution data from satellite instruments, to estimate emissions of nitrogen oxides (NOx) across the Northern Hemisphere. The framework, which advances current methods to infer emissions from satellite observations, provides observationally constrained NOx estimates, including in regions of the world where emissions are highly uncertain, and can improve simulations of air pollutants relevant for health and policy.
Daiwen Kang, Nicholas K. Heath, Robert C. Gilliam, Tanya L. Spero, and Jonathan E. Pleim
Geosci. Model Dev., 15, 8561–8579, https://doi.org/10.5194/gmd-15-8561-2022, https://doi.org/10.5194/gmd-15-8561-2022, 2022
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A lightning assimilation (LTA) technique implemented in the WRF model's Kain–Fritsch (KF) convective scheme is updated and applied to simulations from regional to hemispheric scales using observed lightning flashes from ground-based lightning detection networks. Different user-toggled options associated with the KF scheme on simulations with and without LTA are assessed. The model's performance is improved significantly by LTA, but it is sensitive to various factors.
Peeyush Khare, Jordan E. Krechmer, Jo E. Machesky, Tori Hass-Mitchell, Cong Cao, Junqi Wang, Francesca Majluf, Felipe Lopez-Hilfiker, Sonja Malek, Will Wang, Karl Seltzer, Havala O. T. Pye, Roisin Commane, Brian C. McDonald, Ricardo Toledo-Crow, John E. Mak, and Drew R. Gentner
Atmos. Chem. Phys., 22, 14377–14399, https://doi.org/10.5194/acp-22-14377-2022, https://doi.org/10.5194/acp-22-14377-2022, 2022
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Ammonium adduct chemical ionization is used to examine the atmospheric abundances of oxygenated volatile organic compounds associated with emissions from volatile chemical products, which are now key contributors of reactive precursors to ozone and secondary organic aerosols in urban areas. The application of this valuable measurement approach in densely populated New York City enables the evaluation of emissions inventories and thus the role these oxygenated compounds play in urban air quality.
Sarah E. Benish, Jesse O. Bash, Kristen M. Foley, K. Wyat Appel, Christian Hogrefe, Robert Gilliam, and George Pouliot
Atmos. Chem. Phys., 22, 12749–12767, https://doi.org/10.5194/acp-22-12749-2022, https://doi.org/10.5194/acp-22-12749-2022, 2022
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We assess Community Multiscale Air Quality (CMAQ) model simulations of nitrogen and sulfur deposition over US climate regions to evaluate the model ability to reproduce long-term deposition trends and total deposition budgets. A measurement–model fusion technique is found to improve estimates of wet deposition. Emission controls set by the Clean Air Act successfully decreased oxidized nitrogen deposition across the US; we find increasing amounts of reduced nitrogen to the total nitrogen budget.
Mengying Li, Shaocai Yu, Xue Chen, Zhen Li, Yibo Zhang, Zhe Song, Weiping Liu, Pengfei Li, Xiaoye Zhang, Meigen Zhang, Yele Sun, Zirui Liu, Caiping Sun, Jingkun Jiang, Shuxiao Wang, Benjamin N. Murphy, Kiran Alapaty, Rohit Mathur, Daniel Rosenfeld, and John H. Seinfeld
Atmos. Chem. Phys., 22, 11845–11866, https://doi.org/10.5194/acp-22-11845-2022, https://doi.org/10.5194/acp-22-11845-2022, 2022
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This study constructed an emission inventory of condensable particulate matter (CPM) in China with a focus on organic aerosols (OAs), based on collected CPM emission information. The results show that OA emissions are enhanced twofold for the years 2014 and 2017 after the inclusion of CPM in the new inventory. Sensitivity cases demonstrated the significant contributions of CPM emissions from stationary combustion and mobile sources to primary, secondary, and total OA concentrations.
Jiandong Wang, Jia Xing, Shuxiao Wang, Rohit Mathur, Jiaping Wang, Yuqiang Zhang, Chao Liu, Jonathan Pleim, Dian Ding, Xing Chang, Jingkun Jiang, Peng Zhao, Shovan Kumar Sahu, Yuzhi Jin, David C. Wong, and Jiming Hao
Atmos. Chem. Phys., 22, 5147–5156, https://doi.org/10.5194/acp-22-5147-2022, https://doi.org/10.5194/acp-22-5147-2022, 2022
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Aerosols reduce surface solar radiation and change the photolysis rate and planetary boundary layer stability. In this study, the online coupled meteorological and chemistry model was used to explore the detailed pathway of how aerosol direct effects affect secondary inorganic aerosol. The effects through the dynamics pathway act as an equally or even more important route compared with the photolysis pathway in affecting secondary aerosol concentration in both summer and winter.
Elyse A. Pennington, Karl M. Seltzer, Benjamin N. Murphy, Momei Qin, John H. Seinfeld, and Havala O. T. Pye
Atmos. Chem. Phys., 21, 18247–18261, https://doi.org/10.5194/acp-21-18247-2021, https://doi.org/10.5194/acp-21-18247-2021, 2021
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Volatile chemical products (VCPs) are commonly used consumer and industrial items that contribute to the formation of atmospheric aerosol. We implemented the emissions and chemistry of VCPs in a regional-scale model and compared predictions with measurements made in Los Angeles. Our results reduced model bias and suggest that VCPs may contribute up to half of anthropogenic secondary organic aerosol in Los Angeles and are an important source of human-influenced particular matter in urban areas.
Kai Wang, Yang Zhang, Shaocai Yu, David C. Wong, Jonathan Pleim, Rohit Mathur, James T. Kelly, and Michelle Bell
Geosci. Model Dev., 14, 7189–7221, https://doi.org/10.5194/gmd-14-7189-2021, https://doi.org/10.5194/gmd-14-7189-2021, 2021
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The two-way coupled WRF-CMAQ model accounting for complex chemistry–meteorology feedbacks has been applied to the long-term predictions of regional meteorology and air quality over the US. The model results show superior performance and importance of chemistry–meteorology feedbacks when compared to the offline coupled WRF and CMAQ simulations, which suggests that feedbacks should be considered along with other factors in developing future model applications to inform policy making.
Stefano Galmarini, Paul Makar, Olivia E. Clifton, Christian Hogrefe, Jesse O. Bash, Roberto Bellasio, Roberto Bianconi, Johannes Bieser, Tim Butler, Jason Ducker, Johannes Flemming, Alma Hodzic, Christopher D. Holmes, Ioannis Kioutsioukis, Richard Kranenburg, Aurelia Lupascu, Juan Luis Perez-Camanyo, Jonathan Pleim, Young-Hee Ryu, Roberto San Jose, Donna Schwede, Sam Silva, and Ralf Wolke
Atmos. Chem. Phys., 21, 15663–15697, https://doi.org/10.5194/acp-21-15663-2021, https://doi.org/10.5194/acp-21-15663-2021, 2021
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This technical note presents the research protocols for phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4). This initiative has three goals: (i) to define the state of wet and dry deposition in regional models, (ii) to evaluate how dry deposition influences air concentration and flux predictions, and (iii) to identify the causes for prediction differences. The evaluation compares LULC-specific dry deposition and effective conductances and fluxes.
Syuichi Itahashi, Rohit Mathur, Christian Hogrefe, Sergey L. Napelenok, and Yang Zhang
Geosci. Model Dev., 14, 5751–5768, https://doi.org/10.5194/gmd-14-5751-2021, https://doi.org/10.5194/gmd-14-5751-2021, 2021
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The Community Multiscale Air Quality (CMAQ) modeling system extended for hemispheric-scale applications (H-CMAQ) incorporated the satellite-constrained degassing SO2 emissions from 50 volcanos across the Northern Hemisphere. The impact on tropospheric sulfate aerosol (SO42−) is assessed for 2010. Although the considered volcanic emissions occurred at or below the middle of free troposphere (500 hPa), SO42− enhancements of more than 10 % were detected up to the top of free troposphere (250 hPa).
Andreas Tilgner, Thomas Schaefer, Becky Alexander, Mary Barth, Jeffrey L. Collett Jr., Kathleen M. Fahey, Athanasios Nenes, Havala O. T. Pye, Hartmut Herrmann, and V. Faye McNeill
Atmos. Chem. Phys., 21, 13483–13536, https://doi.org/10.5194/acp-21-13483-2021, https://doi.org/10.5194/acp-21-13483-2021, 2021
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Feedbacks of acidity and atmospheric multiphase chemistry in deliquesced particles and clouds are crucial for the tropospheric composition, depositions, climate, and human health. This review synthesizes the current scientific knowledge on these feedbacks using both inorganic and organic aqueous-phase chemistry. Finally, this review outlines atmospheric implications and highlights the need for future investigations with respect to reducing emissions of key acid precursors in a changing world.
Xiaoyang Chen, Yang Zhang, Kai Wang, Daniel Tong, Pius Lee, Youhua Tang, Jianping Huang, Patrick C. Campbell, Jeff Mcqueen, Havala O. T. Pye, Benjamin N. Murphy, and Daiwen Kang
Geosci. Model Dev., 14, 3969–3993, https://doi.org/10.5194/gmd-14-3969-2021, https://doi.org/10.5194/gmd-14-3969-2021, 2021
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The continuously updated National Air Quality Forecast Capability (NAQFC) provides air quality forecasts. To support the development of the next-generation NAQFC, we evaluate a prototype of GFSv15-CMAQv5.0.2. The performance and the potential improvements for the system are discussed. This study can provide a scientific basis for further development of NAQFC and help it to provide more accurate air quality forecasts to the public over the contiguous United States.
K. Wyat Appel, Jesse O. Bash, Kathleen M. Fahey, Kristen M. Foley, Robert C. Gilliam, Christian Hogrefe, William T. Hutzell, Daiwen Kang, Rohit Mathur, Benjamin N. Murphy, Sergey L. Napelenok, Christopher G. Nolte, Jonathan E. Pleim, George A. Pouliot, Havala O. T. Pye, Limei Ran, Shawn J. Roselle, Golam Sarwar, Donna B. Schwede, Fahim I. Sidi, Tanya L. Spero, and David C. Wong
Geosci. Model Dev., 14, 2867–2897, https://doi.org/10.5194/gmd-14-2867-2021, https://doi.org/10.5194/gmd-14-2867-2021, 2021
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This paper details the scientific updates in the recently released CMAQ version 5.3 (and v5.3.1) and also includes operational and diagnostic evaluations of CMAQv5.3.1 against observations and the previous version of the CMAQ (v5.2.1). This work was done to improve the underlying science in CMAQ. This article is used to inform the CMAQ modeling community of the updates to the modeling system and the expected change in model performance from these updates (versus the previous model version).
Qian Shu, Benjamin Murphy, Jonathan E. Pleim, Donna Schwede, Barron H. Henderson, Havala O.T. Pye, Keith Wyat Appel, Tanvir R. Khan, and Judith A. Perlinger
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2021-129, https://doi.org/10.5194/gmd-2021-129, 2021
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We have bridged the gap between dry deposition measurement and modeling by rigorous use of box and regional transport models and field measurements, but more efforts are needed. This study highlights that deviation among deposition schemes is most pronounced for small and large particles. This study better links model predictions to available real-world observations and incrementally reduces uncertainties in the magnitude of loss processes important for the lifecycle of air pollutants.
Karl M. Seltzer, Elyse Pennington, Venkatesh Rao, Benjamin N. Murphy, Madeleine Strum, Kristin K. Isaacs, and Havala O. T. Pye
Atmos. Chem. Phys., 21, 5079–5100, https://doi.org/10.5194/acp-21-5079-2021, https://doi.org/10.5194/acp-21-5079-2021, 2021
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Volatile chemical products (VCPs) are an increasingly important source of anthropogenic reactive organic carbon emissions. Here, we develop VCPy, a new framework to model organic emissions from VCPs throughout the United States. At the national-level, VCPy emissions are broadly consistent with the US EPA’s 2017 National Emission Inventory, however county-level and categorical estimates can differ substantially. An observational evaluation indicates high fidelity in the methods employed here.
Yilin Chen, Huizhong Shen, Jennifer Kaiser, Yongtao Hu, Shannon L. Capps, Shunliu Zhao, Amir Hakami, Jhih-Shyang Shih, Gertrude K. Pavur, Matthew D. Turner, Daven K. Henze, Jaroslav Resler, Athanasios Nenes, Sergey L. Napelenok, Jesse O. Bash, Kathleen M. Fahey, Gregory R. Carmichael, Tianfeng Chai, Lieven Clarisse, Pierre-François Coheur, Martin Van Damme, and Armistead G. Russell
Atmos. Chem. Phys., 21, 2067–2082, https://doi.org/10.5194/acp-21-2067-2021, https://doi.org/10.5194/acp-21-2067-2021, 2021
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Ammonia (NH3) emissions can exert adverse impacts on air quality and ecosystem well-being. NH3 emission inventories are viewed as highly uncertain. Here we optimize the NH3 emission estimates in the US using an air quality model and NH3 measurements from the IASI satellite instruments. The optimized NH3 emissions are much higher than the National Emissions Inventory estimates in April. The optimized NH3 emissions improved model performance when evaluated against independent observation.
Huiying Luo, Marina Astitha, Christian Hogrefe, Rohit Mathur, and S. Trivikrama Rao
Atmos. Chem. Phys., 20, 13801–13815, https://doi.org/10.5194/acp-20-13801-2020, https://doi.org/10.5194/acp-20-13801-2020, 2020
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A new method is introduced to evaluate nonlinear, nonstationary modeled PM2.5 time series by decomposing decadal PM2.5 concentrations and its species onto various timescales. It does not require preselection of temporal scales and assumptions of linearity and stationarity. It provides a unique opportunity to assess the influence of each species on total PM2.5. The results reveal a phase shift in modeled EC/OC concentrations, indicating the need for improved model treatment of organic aerosols.
Cited articles
Allen, D. J., Pickering, K. E., Pinder, R. W., Henderson, B. H., Appel, K. W., and Prados, A.: Impact of lightning-NO on eastern United States photochemistry during the summer of 2006 as determined using the CMAQ model, Atmos. Chem. Phys., 12, 1737–1758, https://doi.org/10.5194/acp-12-1737-2012, 2012.
Appel, K. W., Bhave, P. V., Gilliland, A. B., Sarwar, G., and Roselle, S.
J.: Evaluation of the Community Multiscale Air Quality (CMAQ) model version
4.5: sensitivities affecting model performance; part II – particulate
matter, Atmos. Environ., 42, 6057–6066, https://doi.org/10.1016/j.atmosenv.2008.03.036,
2008.
Appel, K. W., Bash, J. O., Fahey, K. M., Foley, K. M., Gilliam, R. C., Hogrefe, C., Hutzell, W. T., Kang, D., Mathur, R., Murphy, B. N., Napelenok, S. L., Nolte, C. G., Pleim, J. E., Pouliot, G. A., Pye, H. O. T., Ran, L., Roselle, S. J., Sarwar, G., Schwede, D. B., Sidi, F. I., Spero, T. L., and Wong, D. C.: The Community Multiscale Air Quality (CMAQ) model versions 5.3 and 5.3.1: system updates and evaluation, Geosci. Model Dev., 14, 2867–2897, https://doi.org/10.5194/gmd-14-2867-2021, 2021.
Baek, B. H. and Seppanen, C.: Sparse Matrix Operator Kernel Emissions
(SMOKE) Modeling System (Version SMOKE User's Documentation), Zenodo,
https://doi.org/10.5281/zenodo.1421403, 2018.
Bash, J. O.: Description and initial simulation of a dynamic bidirectional
air-surface exchange model for mercury in CMAQ, J. Geophys. Res., 115, D06305,
https://doi.org/10.1029/2009JD012834, 2010.
Binkowski, F. S. and Roselle, S. J.: Models-3 Community Multiscale Air Quality
(CMAQ) model aerosol component 1. Model description, J. Geophys. Res.-Atmos., 108, 4183,
https://doi.org/10.1029/2001JD001409, 2003.
Boutzis, E. I., Zhang, J., and Moran, M. D.: Expansion of a size
disaggregation profile library for particulate matter emissions processing
from three generic profiles to 36 source-type-specific profiles, J. Air Waste Manage., 70, 1067–1100,
https://doi.org/10.1080/10962247.2020.1743794, 2020.
Burnett, R., Chen, H., Szyszkowicz, M., Fann, N., Hubbell, B., Pope, C. A.,
Apte, J. S., Brauer, M., Cohen, A., Weichenthal, S., and Coggins, J.: Global
estimates of mortality associated with long-term exposure to outdoor fine
particulate matter, P. Natl. Acad. Sci. USA, 115, 9592–9597,
https://doi.org/10.1073/pnas.1803222115, 2018.
Byun, D. W., Young, J., and Odman, M. T.: Governing equations and
computational structure of the Community Multiscale Air Quality (CMAQ)
chemical transport model, Science Algorithms of the EPA models-3 Community Multiscale Air Quality (CMAQ) Modeling System, National Exposure Research Laboratory, U.S. EPA,
Research Triangle Park, N.C., chap. 6, available at:
https://www.cmascenter.org/cmaq/science_documentation/pdf/ch06.pdf (last access: 1 September 2020), 1999.
Cohan, D. S., Tian, D., Hu, Y., and Russell, A. G.: Control strategy
optimization for attainment and exposure mitigation: Case study for ozone in
Macon, Georgia, Environ. Manage., 38, 451–462, https://doi.org/10.1007/s00267-005-0226-y, 2006.
Cohen, A. J., Brauer, M., Burnett, R., Anderson, H. R., Frostad, J., Estep,
K., Balakrishnan, K., Brunekreef, B., Dandona, L., Dandona, R., and Feigin,
V.: Estimates and 25-year trends of the global burden of disease
attributable to ambient air pollution: an analysis of data from the Global
Burden of Diseases Study 2015, Lancet, 389, 1907–1918,
https://doi.org/10.1016/S0140-6736(17)30505-6, 2017.
Emery, C., Liu, Z., Russell, A. G., Odman, M. T., Yarwood, G., and Kumar, N.:
Recommendations on statistics and benchmarks to assess photochemical model
performance, J. Air Waste Manage., 67, 582–598, https://doi.org/10.1080/10962247.2016.1265027,
2017.
Foley, K. M., Roselle, S. J., Appel, K. W., Bhave, P. V., Pleim, J. E., Otte, T. L., Mathur, R., Sarwar, G., Young, J. O., Gilliam, R. C., Nolte, C. G., Kelly, J. T., Gilliland, A. B., and Bash, J. O.: Incremental testing of the Community Multiscale Air Quality (CMAQ) modeling system version 4.7, Geosci. Model Dev., 3, 205–226, https://doi.org/10.5194/gmd-3-205-2010, 2010.
Fu, J. S., Brill Jr., D. E., and Ranjithan, R. S.: Conjunctive use of models to
design cost-effective ozone control strategies, J. Air Waste Manage., 56, 800–809,
https://doi.org/10.1080/10473289.2006.10464492, 2006.
Gonzalez-Abraham, R., Chung, S. H., Avise, J., Lamb, B., Salathé Jr., E. P., Nolte, C. G., Loughlin, D., Guenther, A., Wiedinmyer, C., Duhl, T., Zhang, Y., and Streets, D. G.: The effects of global change upon United States air quality, Atmos. Chem. Phys., 15, 12645–12665, https://doi.org/10.5194/acp-15-12645-2015, 2015.
Huang, J., Zhu, Y., Kelly, J. T., Jang, C., Wang, S., Xing, J., Chiang, P. C.,
Fan, S., Zhao, X., and Yu, L.: Large-scale optimization of multi-pollutant
control strategies in the Pearl River Delta region of China using a genetic
algorithm in machine learning, Sci. Total Environ., 722, 137701,
https://doi.org/10.1016/j.scitotenv.2020.137701, 2020.
Jähn, M., Kuhlmann, G., Mu, Q., Haussaire, J.-M., Ochsner, D., Osterried, K., Clément, V., and Brunner, D.: An online emission module for atmospheric chemistry transport models: implementation in COSMO-GHG v5.6a and COSMO-ART v5.1-3.1, Geosci. Model Dev., 13, 2379–2392, https://doi.org/10.5194/gmd-13-2379-2020, 2020.
Kelly, J. T., Koplitz, S. N., Baker, K. R., Holder, A. L., Pye, H. O., Murphy,
B. N., Bash, J. O., Henderson, B. H., Possiel, N. C., Simon, H., and Eyth, A. M.:
Assessing PM2.5 model performance for the conterminous US with comparison
to model performance statistics from 2007–2015, Atmos. Environ., 214, 116872,
https://doi.org/10.1016/j.atmosenv.2019.116872, 2019.
Loughlin, D. H., Benjey, W. G., and Nolte, C. G.: ESP v1.0: methodology for exploring emission impacts of future scenarios in the United States, Geosci. Model Dev., 4, 287–297, https://doi.org/10.5194/gmd-4-287-2011, 2011.
Lu, Q., Murphy, B. N., Qin, M., Adams, P. J., Zhao, Y., Pye, H. O. T., Efstathiou, C., Allen, C., and Robinson, A. L.: Simulation of organic aerosol formation during the CalNex study: updated mobile emissions and secondary organic aerosol parameterization for intermediate-volatility organic compounds, Atmos. Chem. Phys., 20, 4313–4332, https://doi.org/10.5194/acp-20-4313-2020, 2020.
Matthias, V., Arndt, J. A., Aulinger, A., Bieser, J., Denier van der Gon,
H., Kranenburg, R., Kuenen J., Neumann, D., Pouliot, G., and Quante,
M.: Modeling emissions for three-dimensional atmospheric chemistry transport
models, J. Air Waste Manage., 68, 763–800, https://doi.org/10.1080/10962247.2018.1424057,
2018
Nolte, C. G., Appel, K. W., Kelly, J. T., Bhave, P. V., Fahey, K. M., Collett Jr., J. L., Zhang, L., and Young, J. O.: Evaluation of the Community Multiscale Air Quality (CMAQ) model v5.0 against size-resolved measurements of inorganic particle composition across sites in North America, Geosci. Model Dev., 8, 2877–2892, https://doi.org/10.5194/gmd-8-2877-2015, 2015.
Pleim, J. E., Bash, J. O., Walker, J. T., and Cooter, E. J.: Development and
evaluation of an ammonia bidirectional flux parameterization for air quality
models, J. Geophys. Res., 118, 3794–3806, https://doi.org/10.1002/jgrd.50262, 2013.
Qin, M., Murphy, B. N., Isaacs, K. K., McDonald, B. C., Lu, Q., McKeen, S. A., Koval, L., Robinson, A. L., Efstathiou, C., Allen, C., and Pye, H. O. T.: Criteria pollutant impacts of volatile
chemical products informed by near-field modelling, Nat. Sustain., 4, 129–137, https://doi.org/10.1038/s41893-020-00614-1, 2021.
Ran, L., Loughlin, D. H., Yang, D., Adelman, Z., Baek, B. H., and Nolte, C. G.: ESP v2.0: enhanced method for exploring emission impacts of future scenarios in the United States – addressing spatial allocation, Geosci. Model Dev., 8, 1775–1787, https://doi.org/10.5194/gmd-8-1775-2015, 2015.
Robinson, A. L., Donahue, N. M., Shrivastava, M. K.,
Weitkamp, E. A., Sage, A. M., Grieshop, A. P., Lane, T. E.,
Pierce, J. R., and Pandis, S. N.: Rethinking organic aerosols: Semivolatile
emissions and photochemical aging, Science, 315, 1259–1262, https://doi.org/10.1126/science.1133061, 2007.
Sarwar, G., Gantt, B., Foley, K., Fahey, K., Spero, T.L., Kang, D., Mathur,
R., Foroutan, H., Xing, J., Sherwen, T., and Saiz-Lopez, A.: Influence of
bromine and iodine chemistry on annual, seasonal, diurnal, and background
ozone: CMAQ simulations over the Northern Hemisphere, Atmos. Environ., 213, 395–404,
https://doi.org/10.1016/j.atmosenv.2019.06.020, 2019.
Simon, H., Baker, K. R., and Phillips, S.: Compilation and
interpretation of photochemical model performance statistics published
between 2006 and 2012, Atmos. Environ., 61, 124–139,
https://doi.org/10.1016/j.atmosenv.2012.07.012, 2012.
U.S. Environmental Protection Agency (US EPA): Regulatory Impact Analysis for
the Final Revisions to the National Ambient Air Quality Standards for
Particulate Matter (Final Report, 2012), U.S. Environmental Protection
Agency, Office of Air Quality Planning and Standards, Research triangle
Park, N.C., EPA-452/R-12-005, 2012.
U.S. Environmental Protection Agency (US EPA): Modeling Guidance for
Demonstrating Attainment of Air Quality Goals for Ozone, PM2.5, and Regional
Haze, U.S. Environmental Protection Agency, Office of Air Quality Planning
and Standards, Research Triangle Park, NC. EPA 454/R-18-009, 2018.
U.S. Environmental Protection Agency (US EPA): Integrated Science Assessment
(ISA) for Particulate Matter (Final Report, 2019), U.S. Environmental
Protection Agency, Washington, DC, EPA/600/R-19/188, 2019a.
U.S. Environmental Protection Agency (US EPA): “CMAQ Grid Mask Files for
12km CONUS – US States and NOAA Climate Regions”, UNC Dataverse, V1,
doi.org/10.15139/S3/XDYYB9, 2019b.
U.S. Environmental Protection Agency (US EPA): CMAQ Model Version 5.3 Input Data – 1/1/2016 – 12/31/2016 12km CONUS, UNC Dataverse, V1, https://doi.org/10.15139/S3/MHNUNE, 2019c.
U.S. Environmental Protection Agency (US EPA): Community Multiscale Air
Quality (CMAQ) model version 5.3.2, Zenodo,
https://zenodo.org/record/4081737#.X48QT9BKhaQ, 2020a.
U.S. Environmental Protection Agency (US EPA): Community Multiscale Air
Quality (CMAQ) model version 5.3 User's Guide, available at:
https://github.com/USEPA/CMAQ/blob/master/DOCS/Users_Guide/README.md, last access: 28 October 2020b.
US EPA Office of Research and Development: CMAQ (Version 5.3.2), Zenodo [code], https://doi.org/10.5281/zenodo.4081737, 2020.
Winijkul, E., Yan, F., Lu, Z., Streets, D. G., Bond, T. C., and Zhao, Y.:
Size-resolved global emission inventory of primary particulate matter from
energy-related combustion sources, Atmos. Environ., 107, 137–147, https://doi.org/10.1016/j.atmosenv.2015.02.037, 2015.
Xing, J., Wang, S. X., Jang, C., Zhu, Y., and Hao, J. M.: Nonlinear response of ozone to precursor emission changes in China: a modeling study using response surface methodology, Atmos. Chem. Phys., 11, 5027–5044, https://doi.org/10.5194/acp-11-5027-2011, 2011.
Xing, J., Wang, S., Zhao, B., Wu, W., Ding, D., Jang, C., Zhu, Y., Chang,
X., Wang, J., Zhang, F., and Hao, J.: Quantifying Nonlinear Multiregional
Contributions to Ozone and Fine Particles Using an Updated Response Surface
Modeling Technique, Environ. Sci. Technol., 51, 11788–11798,
https://doi.org/10.1021/acs.est.7b01975, 2017.
Xing, J., Zheng, S., Ding, D., Kelly, J. T., Wang, S., Li, S., Qin, T., Ma,
M., Dong, Z., Jang, C., and Zhu, Y.: Deep learning for prediction of the air
quality response to emission changes, Environ. Sci. Technol., 54, 8589–8600,
https://doi.org/10.1021/acs.est.0c02923, 2020.
Zhang, K. M., Knipping, E. M., Wexler, A. S., Bhave, P. V., and Tonnesen, G.
S.: Size distribution of sea-salt emissions as a function of relative
humidity, Atmos. Environ., 39, 3373–3379, https://doi.org/10.1016/j.atmosenv.2005.02.032,
2005.
Short summary
The algorithms for applying air pollution emission rates in the Community Multiscale Air Quality (CMAQ) model have been improved to better support users and developers. The new features accommodate emissions perturbation studies that are typical in atmospheric research and output a wealth of metadata for each model run so assumptions can be verified and documented. The new approach dramatically enhances the transparency and functionality of this critical aspect of atmospheric modeling.
The algorithms for applying air pollution emission rates in the Community Multiscale Air Quality...
