Articles | Volume 21, issue 6
https://doi.org/10.5194/acp-21-5079-2021
© 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-21-5079-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
31 Mar 2021
Research article |
| 31 Mar 2021
| 31 Mar 2021
Reactive organic carbon emissions from volatile chemical products
Karl M. Seltzer
Oak Ridge Institute for Science and Education Postdoctoral Fellow in the Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711, USA
Elyse Pennington
Oak Ridge Institute for Science and Education Fellow in the Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711, USA
California Institute of Technology, Pasadena, CA 91125, USA
Venkatesh Rao
Office of Air and Radiation, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711, USA
Benjamin N. Murphy
Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711, USA
Madeleine Strum
Office of Air and Radiation, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711, USA
Kristin K. Isaacs
Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711, USA
Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC 27711, USA
Related authors
Matthew M. Coggon, Chelsea E. Stockwell, Lu Xu, Jeff Peischl, Jessica B. Gilman, Aaron Lamplugh, Henry J. Bowman, Kenneth Aikin, Colin Harkins, Qindan Zhu, Rebecca H. Schwantes, Jian He, Meng Li, Karl Seltzer, Brian McDonald, and Carsten Warneke
Atmos. Chem. Phys., 24, 4289–4304, https://doi.org/10.5194/acp-24-4289-2024, https://doi.org/10.5194/acp-24-4289-2024, 2024
Short summary
Short summary
Residential and commercial cooking emits pollutants that degrade air quality. Here, ambient observations show that cooking is an important contributor to anthropogenic volatile organic compounds (VOCs) emitted in Las Vegas, NV. These emissions are not fully presented in air quality models, and more work may be needed to quantify emissions from important sources, such as commercial restaurants.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
Sara L. Farrell, Quazi Z. Rasool, Havala O. T. Pye, Yue Zhang, Ying Li, Yuzhi Chen, Chi-Tsan Wang, Haofei Zhang, Ryan Schmedding, Manabu Shiraiwa, Jaime Greene, Sri H. Budisulistiorini, Jose L. Jimenez, Weiwei Hu, Jason D. Surratt, and William Vizuete
EGUsphere, https://doi.org/10.5194/egusphere-2025-2253, https://doi.org/10.5194/egusphere-2025-2253, 2025
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
Fine particulate matter (PM2.5) has become increasingly important to regulate and model. In this study, we parameterize non-ideal aerosol mixing and phase state into the Community Multiscale Air Quality (CMAQ) model and analyze its impact on the formation of a globally important source of PM2.5, isoprene epoxydiol (IEPOX)-derived PM2.5. Incorporating these features furthers model bias in IEPOX-derived PM2.5, however, this work provides potential phase state bounds for future PM2.5 modeling work.
Yu Li, Momei Qin, Weiwei Hu, Bin Zhao, Ying Li, Havala O. T. Pye, Jingyi Li, Linghan Zeng, Song Guo, Min Hu, and Jianlin Hu
EGUsphere, https://doi.org/10.5194/egusphere-2025-2879, https://doi.org/10.5194/egusphere-2025-2879, 2025
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
We evaluated how well a widely used air quality model simulates key properties of organic particles in the atmosphere, such as volatility and oxygen content, which influence how particles age, spread, and affect both air quality and climate. Using observations from eastern China, we found the model underestimated particle mass and misrepresented their chemical makeup. Our results highlight the need for improved emissions and chemical treatments to better predict air quality and climate impacts.
Sara L. Farrell, Havala O. T. Pye, Robert Gilliam, George Pouliot, Deanna Huff, Golam Sarwar, William Vizuete, Nicole Briggs, Fengkui Duan, Tao Ma, Shuping Zhang, and Kathleen Fahey
Atmos. Chem. Phys., 25, 3287–3312, https://doi.org/10.5194/acp-25-3287-2025, https://doi.org/10.5194/acp-25-3287-2025, 2025
Short summary
Short summary
In this work we implement heterogeneous sulfur chemistry into the Community Multiscale Air Quality (CMAQ) model. This new chemistry accounts for the formation of sulfate via aqueous oxidation of SO2 in aerosol liquid water and the formation of hydroxymethanesulfonate (HMS) – often confused by measurement techniques as sulfate. Model performance in predicting sulfur PM2.5 in Fairbanks, Alaska, and other places that experience dark and cold winters is improved.
T. Nash Skipper, Emma L. D'Ambro, Forwood C. Wiser, V. Faye McNeill, Rebecca H. Schwantes, Barron H. Henderson, Ivan R. Piletic, Colleen B. Baublitz, Jesse O. Bash, Andrew R. Whitehill, Lukas C. Valin, Asher P. Mouat, Jennifer Kaiser, Glenn M. Wolfe, Jason M. St. Clair, Thomas F. Hanisco, Alan Fried, Bryan K. Place, and Havala O.T. Pye
Atmos. Chem. Phys., 24, 12903–12924, https://doi.org/10.5194/acp-24-12903-2024, https://doi.org/10.5194/acp-24-12903-2024, 2024
Short summary
Short summary
We develop the Community Regional Atmospheric Chemistry Multiphase Mechanism (CRACMM) version 2 to improve predictions of formaldehyde in ambient air compared to satellite-, aircraft-, and ground-based observations. With the updated chemistry, we estimate the cancer risk from inhalation exposure to ambient formaldehyde across the contiguous USA and predict that 40 % of this risk is controllable through reductions in anthropogenic emissions of nitrogen oxides and reactive organic carbon.
Cassandra J. Gaston, Joseph M. Prospero, Kristen Foley, Havala O. T. Pye, Lillian Custals, Edmund Blades, Peter Sealy, and James A. Christie
Atmos. Chem. Phys., 24, 8049–8066, https://doi.org/10.5194/acp-24-8049-2024, https://doi.org/10.5194/acp-24-8049-2024, 2024
Short summary
Short summary
To understand how changing emissions have impacted aerosols in remote regions, we measured nitrate and sulfate in Barbados and compared them to model predictions from EPA’s Air QUAlity TimE Series (EQUATES). Nitrate was stable, except for spikes in 2008 and 2010 due to transported smoke. Sulfate decreased in the 1990s due to reductions in sulfur dioxide (SO2) in the US and Europe; then it increased in the 2000s, likely due to anthropogenic emissions from Africa.
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
Short summary
Short summary
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.
Matthew M. Coggon, Chelsea E. Stockwell, Lu Xu, Jeff Peischl, Jessica B. Gilman, Aaron Lamplugh, Henry J. Bowman, Kenneth Aikin, Colin Harkins, Qindan Zhu, Rebecca H. Schwantes, Jian He, Meng Li, Karl Seltzer, Brian McDonald, and Carsten Warneke
Atmos. Chem. Phys., 24, 4289–4304, https://doi.org/10.5194/acp-24-4289-2024, https://doi.org/10.5194/acp-24-4289-2024, 2024
Short summary
Short summary
Residential and commercial cooking emits pollutants that degrade air quality. Here, ambient observations show that cooking is an important contributor to anthropogenic volatile organic compounds (VOCs) emitted in Las Vegas, NV. These emissions are not fully presented in air quality models, and more work may be needed to quantify emissions from important sources, such as commercial restaurants.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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
Short summary
Short summary
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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.
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
Short summary
Short summary
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
Short summary
Short summary
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.
Benjamin N. Murphy, Christopher G. Nolte, Fahim Sidi, Jesse O. Bash, K. Wyat Appel, Carey Jang, Daiwen Kang, James Kelly, Rohit Mathur, Sergey Napelenok, George Pouliot, and Havala O. T. Pye
Geosci. Model Dev., 14, 3407–3420, https://doi.org/10.5194/gmd-14-3407-2021, https://doi.org/10.5194/gmd-14-3407-2021, 2021
Short summary
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.
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
Short summary
Short summary
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
Preprint withdrawn
Short summary
Short summary
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.
Cited articles
Abbatt, J. P. D. and Wang, C.:
The atmospheric chemistry of indoor environments,
Environ. Sci.-Proc. Imp.,
22, 25–48, https://doi.org/10.1039/c9em00386j, 2020.
Baker, K. R., Carlton, A. G., Kleindienst, T. E., Offenberg, J. H., Beaver, M. R., Gentner, D. R., Goldstein, A. H., Hayes, P. L., Jimenez, J. L., Gilman, J. B., de Gouw, J. A., Woody, M. C., Pye, H. O. T., Kelly, J. T., Lewandowski, M., Jaoui, M., Stevens, P. S., Brune, W. H., Lin, Y.-H., Rubitschun, C. L., and Surratt, J. D.: Gas and aerosol carbon in California: comparison of measurements and model predictions in Pasadena and Bakersfield, Atmos. Chem. Phys., 15, 5243–5258, https://doi.org/10.5194/acp-15-5243-2015, 2015.
Bash, J. O., Baker, K. R., and Beaver, M. R.: Evaluation of improved land use and canopy representation in BEIS v3.61 with biogenic VOC measurements in California, Geosci. Model Dev., 9, 2191–2207, https://doi.org/10.5194/gmd-9-2191-2016, 2016.
Bishop, G. A. and Stedman, D. H.:
A decade of on-road emissions measurements,
Environ. Sci. Technol.,
42, 1651–1656, https://doi.org/10.1021/es702413b, 2008.
Borbon, A., Gilman, J. B., Kuster, W. C., Grand, N., Chevaillier, S., Colomb, A., Dolgorouky, C., Gros, V., Lopez, M., Sarda-Esteve, R., Holloway, J., Stutz, J., Petetin, H., McKeen, S., Beekmann, M., Warneke, C., Parrish, D. D., and de Gouw, J. A.:
Emission ratios of anthropogenic volatile organic compounds in northern mid-latitude megacities: Observations versus emission inventories in Los Angeles and Paris,
J. Geophys. Res.-Atmos.,
118, 2041–2057, https://doi.org/10.1002/jgrd.50059, 2013.
Burnett, R., Chen, H., Szyszkowicz, M., Fann, N., Hubbell, B., Pope, C. A., Apte, J. S., Brauer, M., Cohen, A., Weichenthal, S., Coggins, J., Di, Q., Brunekreef, B., Frostad, J., Lim, S. S., Kan, H. D., Walker, K. D., Thurston, G. D., Hayes, R. B., Lim, C. C., Turner, M. C., Jerrett, M., Krewski, D., Gapstur, S. M., Diver, W. R., Ostro, B., Goldberg, D., Crouse, D. L., Martin, R. V., Peters, P., Pinault, L., Tjepkema, M., Donkelaar, A., Villeneuve, P. J., Miller, A. B., Yin, P., Zhou, M. G., Wang, L. J., Janssen, N. A. H., Marra, M., Atkinson, R. W., Tsang, H., Thach, Q., Cannon, J. B., Allen, R. T., Hart, J. E., Laden, F., Cesaroni, G., Forastiere, F., Weinmayr, G., Jaensch, A., Nagel, G., Concin, H., and Spadaro, J. V.:
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.
California Air Resources Board (CARB): 2005 Architectural Coatings Survey – Final Report, 2007.
California Air Resources Board (CARB): 2010 Aerosol Coatings Survey Results, 2012.
California Air Resources Board (CARB):
2014 Architectural Coatings Survey – Draft Data Summary, 2014.
California Air Resources Board (CARB):
ORGPROF – Organic chemical profiles for source categories,
available at: https://ww2.arb.ca.gov/speciation-profiles-used-carb-modeling (last access: 28 August 2020), 2018.
California Air Resources Board (CARB): Final 2015 Consumer & Commercial Product Survey Data Summaries, available at: https://ww2.arb.ca.gov/sites/default/files/2020-08/2015_CP_Survey_Summary_data_2019-12-09%20%28Autosaved%29.xlsx (last access: 28 August 2020), 2019.
Cappa, C. D. and Wilson, K. R.: Multi-generation gas-phase oxidation, equilibrium partitioning, and the formation and evolution of secondary organic aerosol, Atmos. Chem. Phys., 12, 9505–9528, https://doi.org/10.5194/acp-12-9505-2012, 2012.
Carter, W. P. L.:
Development of the SAPRC-07 chemical mechanism,
Atmos. Environ.,
44, 5324–5335, https://doi.org/10.1016/j.atmosenv.2010.01.026, 2010a.
Carter, W. P. L.:
Updated Maximum Incremental Reactivity Scale and Hydrocarbon Bin Reactivities for Regulatory Applications,
Prepared for California Air Resources Board Contract 07-339,
available at: https://intra.engr.ucr.edu/~carter/SAPRC/MIR10.pdf (last access: 11 March 2021), 2010b.
Carter, W. P. L.:
Development of a database for chemical mechanism assignments for volatile organic emissions,
J. Air Waste Manage.,
65, 1171–1184, https://doi.org/10.1080/10962247.2015.1013646, 2015.
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.
Charan, S. M., Buenconsejo, R. S., and Seinfeld, J. H.: Secondary organic aerosol yields from the oxidation of benzyl alcohol, Atmos. Chem. Phys., 20, 13167–13190, https://doi.org/10.5194/acp-20-13167-2020, 2020.
de Gouw, J. A., Middlebrook, A. M., Warneke, C., Goldan, P. D., Kuster, W. C., Roberts, J. M., Fehsenfeld, F. C., Worsnop, D. R., Canagaratna, M. R., Pszenny, A. A. P., Keene, W. C., Marchewka, M., Bertman, S. B., and Bates, T. S.:
Budget of organic carbon in a polluted atmosphere: Results from the New England Air Quality Study in 2002,
J. Geophys. Res.-Atmos.,
110, D16305, https://doi.org/10.1029/2004jd005623, 2005.
de Gouw, J. A., Gilman, J. B., Kim, S. W., Lerner, B. M., Isaacman-VanWertz, G., McDonald, B. C., Warneke, C., Kuster, W. C., Lefer, B. L., Griffith, S. M., Dusanter, S., Stevens, P. S., and Stutz, J.:
Chemistry of Volatile Organic Compounds in the Los Angeles basin: Nighttime Removal of Alkenes and Determination of Emission Ratios,
J. Geophys. Res.-Atmos.,
122, 11843–11861, https://doi.org/10.1002/2017jd027459, 2017.
de Gouw, J. A., Gilman, J. B., Kim, S. W., Alvarez, S. L., Dusanter, S., Graus, M., Griffith, S. M., Isaacman-VanWertz, G., Kuster, W. C., Lefer, B. L., Lerner, B. M., McDonald, B. C., Rappengluck, B., Roberts, J. M., Stevens, P. S., Stutz, J., Thalman, R., Veres, P. R., Volkamer, R., Warneke, C., Washenfelder, R. A., and Young, C. J.:
Chemistry of Volatile Organic Compounds in the Los Angeles Basin: Formation of Oxygenated Compounds and Determination of Emission Ratios,
J. Geophys. Res.-Atmos.,
123, 2298–2319, https://doi.org/10.1002/2017jd027976, 2018.
Di, Q., Wang, Y., Zanobetti, A., Wang, Y., Koutrakis, P., Choirat, C., Dominici, F., and Schwartz, J. D.:
Air Pollution and Mortality in the Medicare Population,
New Engl. J. Med.,
376, 2513–2522, https://doi.org/10.1056/NEJMoa1702747, 2017.
Donahue, N. M., Kroll, J. H., Pandis, S. N., and Robinson, A. L.: A two-dimensional volatility basis set – Part 2: Diagnostics of organic-aerosol evolution, Atmos. Chem. Phys., 12, 615–634, https://doi.org/10.5194/acp-12-615-2012, 2012.
Ensberg, J. J., Hayes, P. L., Jimenez, J. L., Gilman, J. B., Kuster, W. C., de Gouw, J. A., Holloway, J. S., Gordon, T. D., Jathar, S., Robinson, A. L., and Seinfeld, J. H.: Emission factor ratios, SOA mass yields, and the impact of vehicular emissions on SOA formation, Atmos. Chem. Phys., 14, 2383–2397, https://doi.org/10.5194/acp-14-2383-2014, 2014.
Farmer, D. K., Vance, M. E., Abbatt, J. P. D., Abeleira, A., Alves, M. R., Arata, C., Boedicker, E., Bourne, S., Cardoso-Saldana, F., Corsi, R., DeCarlo, P. F., Goldstein, A. H., Grassian, V. H., Hildebrandt Ruiz, L., Jimenez, J. L., Kahan, T. F., Katz, E. F., Mattila, J. M., Nazaroff, W. W., Novoselac, A., O'Brien, R. E., Or, V. W., Patel, S., Sankhyan, S., Stevens, P. S., Tian, Y., Wade, M., Wang, C., Zhou, S., and Zhou, Y.:
Overview of HOMEChem: House Observations of Microbial and Environmental Chemistry,
Environ. Sci.-Proc. Imp.,
21, 1280–1300, https://doi.org/10.1039/c9em00228f, 2019.
Gentner, D. R., Isaacman, G., Worton, D. R., Chan, A. W. H., Dallmann, T. R., Davis, L., Liu, S., Day, D. A., Russell, L. M., Wilson, K. R., Weber, R., Guha, A., Harley, R. A., and Goldstein, A. H.:
Elucidating secondary organic aerosol from diesel and gasoline vehicles through detailed characterization of organic carbon emissions,
P. Natl. Acad. Sci. USA,
109, 18318–18323, https://doi.org/10.1073/pnas.1212272109, 2012.
Gentner, D. R., Worton, D. R., Isaacman, G., Davis, L. C., Dallmann, T. R., Wood, E. C., Herndon, S. C., Goldstein, A. H., and Harley, R. A.:
Chemical Composition of Gas-Phase Organic Carbon Emissions from Motor Vehicles and Implications for Ozone Production,
Environ. Sci. Technol.,
47, 11837–11848, https://doi.org/10.1021/es401470e, 2013.
Gentner, D. R., Jathar, S. H., Gordon, T. D., Bahreini, R., Day, D. A., El Haddad, I., Hayes, P. L., Pieber, S. M., Platt, S. M., de Gouw, J., Goldstein, A. H., Harley, R. A., Jimenez, J. L., Prevot, A. S. H., and Robinson, A. L.:
Review of Urban Secondary Organic Aerosol Formation from Gasoline and Diesel Motor Vehicle Emissions,
Environ. Sci. Technol.,
51, 1074–1093, https://doi.org/10.1021/acs.est.6b04509, 2017.
Heald, C. L. and Kroll, J. H.:
The fuel of atmospheric chemistry: Toward a complete description of reactive organic carbon, Science Advances, 6, eaay8967, https://doi.org/10.1126/sciadv.aay8967, 2020.
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.
Hodzic, A., Jimenez, J. L., Madronich, S., Canagaratna, M. R., DeCarlo, P. F., Kleinman, L., and Fast, J.: Modeling organic aerosols in a megacity: potential contribution of semi-volatile and intermediate volatility primary organic compounds to secondary organic aerosol formation, Atmos. Chem. Phys., 10, 5491–5514, https://doi.org/10.5194/acp-10-5491-2010, 2010.
Isaacs, K. K., Glen, W. G., Egeghy, P., Goldsmith, M. R., Smith, L., Vallero, D., Brooks, R., Grulke, C. M., and Ozkaynak, H.:
SHEDS-HT: An Integrated Probabilistic Exposure Model for Prioritizing Exposures to Chemicals with Near-Field and Dietary Sources,
Environ. Sci. Technol.,
48, 12750–12759, https://doi.org/10.1021/es502513w, 2014.
Isaacs, K. K., Dionisio, K., Phillips, K., Bevington, C., Egeghy, P., and Price, P. S.:
Establishing a system of consumer product use categories to support rapid modeling of human exposure,
J. Expo. Sci. Env. Epid.,
30, 171–183, https://doi.org/10.1038/s41370-019-0187-5, 2020.
Janechek, N. J., Hansen, K. M., and Stanier, C. O.: Comprehensive atmospheric modeling of reactive cyclic siloxanes and their oxidation products, Atmos. Chem. Phys., 17, 8357–8370, https://doi.org/10.5194/acp-17-8357-2017, 2017.
Janechek, N. J., Marek, R. F., Bryngelson, N., Singh, A., Bullard, R. L., Brune, W. H., and Stanier, C. O.: Physical properties of secondary photochemical aerosol from OH oxidation of a cyclic siloxane, Atmos. Chem. Phys., 19, 1649–1664, https://doi.org/10.5194/acp-19-1649-2019, 2019.
Jathar, S. H., Woody, M., Pye, H. O. T., Baker, K. R., and Robinson, A. L.: Chemical transport model simulations of organic aerosol in southern California: model evaluation and gasoline and diesel source contributions, Atmos. Chem. Phys., 17, 4305–4318, https://doi.org/10.5194/acp-17-4305-2017, 2017.
Jimenez, J. L., Canagaratna, M. R., Donahue, N. M., Prevot, A. S. H., Zhang, Q., Kroll, J. H., DeCarlo, P. F., Allan, J. D., Coe, H., Ng, N. L., Aiken, A. C., Docherty, K. S., Ulbrich, I. M., Grieshop, A. P., Robinson, A. L., Duplissy, J., Smith, J. D., Wilson, K. R., Lanz, V. A., Hueglin, C., Sun, Y. L., Tian, J., Laaksonen, A., Raatikainen, T., Rautiainen, J., Vaattovaara, P., Ehn, M., Kulmala, M., Tomlinson, J. M., Collins, D. R., Cubison, M. J., Dunlea, E. J., Huffman, J. A., Onasch, T. B., Alfarra, M. R., Williams, P. I., Bower, K., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K., Salcedo, D., Cottrell, L., Griffin, R., Takami, A., Miyoshi, T., Hatakeyama, S., Shimono, A., Sun, J. Y., Zhang, Y. M., Dzepina, K., Kimmel, J. R., Sueper, D., Jayne, J. T., Herndon, S. C., Trimborn, A. M., Williams, L. R., Wood, E. C., Middlebrook, A. M., Kolb, C. E., Baltensperger, U., and Worsnop, D. R.: Evolution of Organic Aerosols in the Atmosphere, Science, 326, 1525–1529, https://doi.org/10.1126/science.1180353, 2009.
Kazemiparkouhi, F., Eum, K. D., Wang, B. Y., Manjourides, J., and Suh, H. H.: Long-term ozone exposures and cause-specific mortality in a US Medicare cohort,
J. Expo. Sci. Env. Epid.,
30, 650–658, https://doi.org/10.1038/s41370-019-0135-4, 2020.
Khare, P. and Gentner, D. R.: Considering the future of anthropogenic gas-phase organic compound emissions and the increasing influence of non-combustion sources on urban air quality, Atmos. Chem. Phys., 18, 5391–5413, https://doi.org/10.5194/acp-18-5391-2018, 2018.
Li, L. J. and Cocker, D. R.:
Molecular structure impacts on secondary organic aerosol formation from glycol ethers,
Atmos. Environ.,
180, 206–215, https://doi.org/10.1016/j.atmosenv.2017.12.025, 2018.
Li, W. H., Li, L. J., Chen, C. L., Kacarab, M., Peng, W. H., Price, D., Xu, J., and Cocker, D. R.:
Potential of select intermediate-volatility organic compounds and consumer products for secondary organic aerosol and ozone formation under relevant urban conditions,
Atmos. Environ.,
178, 109–117, https://doi.org/10.1016/j.atmosenv.2017.12.019, 2018.
Li, Y., Rodier, C., Lea, J. D., Harvey, J., and Kleeman, M. J.:
Improving spatial surrogates for area source emissions inventories in California, Atmos. Environ., 247, 117665, https://doi.org/10.1016/j.atmosenv.2020.117665, 2020.
Liden, T., Santos, I. C., Hildenbrand, Z. L., and Schug, K. A.:
Treatment modalities for the reuse of produced waste from oil and gas development,
Sci. Total Environ.,
643, 107–118, https://doi.org/10.1016/j.scitotenv.2018.05.386, 2018.
Lu, Q., Zhao, Y., and Robinson, A. L.: Comprehensive organic emission profiles for gasoline, diesel, and gas-turbine engines including intermediate and semi-volatile organic compound emissions, Atmos. Chem. Phys., 18, 17637–17654, https://doi.org/10.5194/acp-18-17637-2018, 2018.
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.
Lyman, S. N., Mansfield, M. L., Tran, H. N. Q., Evans, J. D., Jones, C., O'Neil, T., Bowers, R., Smith, A., and Keslar, C.:
Emissions of organic compounds from produced water ponds I: Characteristics and speciation,
Sci. Total Environ.,
619, 896–905, https://doi.org/10.1016/j.scitotenv.2017.11.161, 2018.
Mansfield, M. L., Tran, H. N. Q., Lyman, S. N., Bowers, R. L., Smith, A. P., and Keslar, C.:
Emissions of organic compounds from produced water ponds III: Mass-transfer coefficients, composition-emission correlations, and contributions to regional emissions,
Sci. Total Environ.,
627, 860–868, https://doi.org/10.1016/j.scitotenv.2018.01.242, 2018.
Mansouri, K., Grulke, C. M., Judson, R. S., and Williams, A. J.:
OPERA models for predicting physicochemical properties and environmental fate endpoints,
J. Cheminformatics,
10, 10, https://doi.org/10.1186/s13321-018-0263-1, 2018.
McDonald, B. C., Gentner, D. R., Goldstein, A. H., and Harley, R. A.:
Long-Term Trends in Motor Vehicle Emissions in US Urban Areas,
Environ. Sci. Technol.,
47, 10022–10031, https://doi.org/10.1021/es401034z, 2013.
McDonald, B. C., Goldstein, A. H., and Harley, R. A.:
Long-Term Trends in California Mobile Source Emissions and Ambient Concentrations of Black Carbon and Organic Aerosol,
Environ. Sci. Technol.,
49, 5178–5188, https://doi.org/10.1021/es505912b, 2015.
McDonald, B. C., de Gouw, J. A., Gilman, J. B., Jathar, S. H., Akherati, A., Cappa, C. D., Jimenez, J. L., Lee-Taylor, J., Hayes, P. L., McKeen, S. A., Cui, Y. Y., Kim, S. W., Gentner, D. R., Isaacman-VanWertz, G., Goldstein, A. H., Harley, R. A., Frost, G. J., Roberts, J. M., Ryerson, T. B., and Trainer, M.:
Volatile chemical products emerging as largest petrochemical source of urban organic emissions,
Science,
359, 760–764, https://doi.org/10.1126/science.aaq0524, 2018.
Mills, G., Sharps, K., Simpson, D., Pleijel, H., Frei, M., Burkey, K., Emberson, L., Uddling, J., Broberg, M., Feng, Z. Z., Kobayashi, K., and Agrawal, M.:
Closing the global ozone yield gap: Quantification and cobenefits for multistress tolerance,
Glob. Change Biol.,
24, 4869–4893, https://doi.org/10.1111/gcb.14381, 2018.
Murphy, B. N., Woody, M. C., Jimenez, J. L., Carlton, A. M. G., Hayes, P. L., Liu, S., Ng, N. L., Russell, L. M., Setyan, A., Xu, L., Young, J., Zaveri, R. A., Zhang, Q., and Pye, H. O. T.: Semivolatile POA and parameterized total combustion SOA in CMAQv5.2: impacts on source strength and partitioning, Atmos. Chem. Phys., 17, 11107–11133, https://doi.org/10.5194/acp-17-11107-2017, 2017.
Murray, D. M. and Burmaster, D. E.:
Residential Air Exchange Rates in the United States: Empirical and Estimated Parametric Distributions by Season and Climatic Region,
Risk Anal.,
15, 459–465, https://doi.org/10.1111/j.1539-6924.1995.tb00338.x, 1995.
Nazaroff, W. W. and Weschler, C. J.:
Cleaning products and air fresheners: exposure to primary and secondary air pollutants,
Atmos. Environ.,
38, 2841–2865, https://doi.org/10.1016/j.atmosenv.2004.02.040, 2004.
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.
Ozone Transport Commission:
OTC Model Regulations for Nitrogen Oxides (NOx) and Photo-reactive Volatile Organic Compounds (VOCs), Technical Support Document,
Ozone Transport Commission, Boston, MA, 2016.
Ozone Transport Commission: OTC Regulatory and Technical Guideline for Reduction of Ozone Precursor Emissions from Consumer Products – Phase V,
Ozone Transport Commission, Boston, MA, 2018.
Patel, S., Sankhyan, S., Boedicker, E. K., DeCarlo, P. F., Farmer, D. K., Goldstein, A. H., Katz, E. F., Nazaroff, W. W., Tian, Y. L., Vanhanen, J., and Vance, M. E.:
Indoor Particulate Matter during HOMEChem: Concentrations, Size Distributions, and Exposures,
Environ. Sci. Technol.,
54, 7107–7116, https://doi.org/10.1021/acs.est.0c00740, 2020.
Pollack, I. B., Ryerson, T. B., Trainer, M., Neuman, J. A., Roberts, J. M., and Parrish, D. D.:
Trends in ozone, its precursors, and related secondary oxidation products in Los Angeles, California: A synthesis of measurements from 1960 to 2010,
J. Geophys. Res.-Atmos.,
118, 5893–5911, https://doi.org/10.1002/jgrd.50472, 2013.
Presto, A. A., Miracolo, M. A., Donahue, N. M., and Robinson, A. L.:
Secondary Organic Aerosol Formation from High-NOx Photo-Oxidation of Low Volatility Precursors: n-Alkanes,
Environ. Sci. Technol.,
44, 2029–2034, https://doi.org/10.1021/es903712r, 2010.
Qin, M. M., Murphy, B. N., Isaacs, K. K., McDonald, B. C., Lu, Q. Y., 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,
Nature Sustainability, 4, 129–137, https://doi.org/10.1038/s41893-020-00614-1, 2020.
Safieddine, S. A., Heald, C. L., and Henderson, B. H.:
The global nonmethane reactive organic carbon budget: A modeling perspective,
Geophys. Res. Lett.,
44, 3897–3906, https://doi.org/10.1002/2017gl072602, 2017.
Sarwar, G., Olson, D. A., Corsi, R. L., and Weschler, C. J.:
Indoor fine particles: The role of terpene emissions from consumer products,
J. Air Waste Manage.,
54, 367–377, https://doi.org/10.1080/10473289.2004.10470910, 2004.
Seltzer, K. M., Pennington, E., Rao, V., Murphy, B. N., Strum, M., Isaacs, K. K., and Pye, H. O. T.: Dataset for Reactive Organic Carbon Emissions from Volatile Chemical Products, EPA, https://doi.org/10.23719/1520157, 2021 (data available: https://www.data.gov/, last access: 29 March 2021).
Shah, R. U., Coggon, M. M., Gkatzelis, G. I., McDonald, B. C., Tasoglou, A., Huber, H., Gilman, J., Warneke, C., Robinson, A. L., and Presto, A. A.:
Urban Oxidation Flow Reactor Measurements Reveal Significant Secondary Organic Aerosol Contributions from Volatile Emissions of Emerging Importance,
Environ. Sci. Technol.,
54, 714–725, https://doi.org/10.1021/acs.est.9b06531, 2020.
Shin, H. M., McKone, T. E., and Bennett, D. H.: Contribution of low vapor
pressure-volatile organic compounds (LVP-VOCs) from consumer products to
ozone formation in urban atmospheres, Atmos Environ, 108, 98–106,
https://doi.org/10.1016/j.atmosenv.2015.02.067, 2015.
Singer, B. C., Revzan, K. L., Hotchi, T., Hodgson, A. T., and Brown, N. J.:
Sorption of organic gases in a furnished room,
Atmos. Environ.,
38, 2483–2494, 2004.
Singer, B. C., Coleman, B. K., Destaillats, H., Hodgson, A. T., Lunden, M. M., Weschler, C. J., and Nazaroff, W. W.:
Indoor secondary pollutants from cleaning product and air freshener use in the presence of ozone,
Atmos. Environ.,
40, 6696–6710, 2006a.
Singer, B. C., Destaillats, H., Hodgson, A. T., and Nazaroff, W. W.:
Cleaning products and air fresheners: emissions and resulting concentrations of glycol ethers and terpenoids,
Indoor Air,
16, 179–191, https://doi.org/10.1111/j.1600-0668.2005.00414.x, 2006b.
Singer, B. C., Hodgson, A. T., Hotchi, T., Ming, K. Y., Sextro, R. G., Wood, E. E., and Brown, N. J.:
Sorption of organic gases in residential rooms,
Atmos. Environ.,
41, 3251–3265, 2007.
Stringfellow, W. T., Camarillo, M. K., Domen, J. K., and Shonkoff, S. B. C.:
Comparison of chemical-use between hydraulic fracturing, acidizing, and routine oil and gas development,
Plos One, 12, e0175344, https://doi.org/10.1371/journal.pone.0175344, 2017.
Strum, M. and Scheffe, R.:
National review of ambient air toxics observations,
J. Air Waste Manage.,
66, 120–133, https://doi.org/10.1080/10962247.2015.1076538, 2016.
The Freedonia Group: Solvents, Industry Study #3429, The Freedonia Group, Cleveland, OH, 2016.
Tkacik, D. S., Presto, A. A., Donahue, N. M., and Robinson, A. L.:
Secondary Organic Aerosol Formation from Intermediate-Volatility Organic Compounds: Cyclic, Linear, and Branched Alkanes,
Environ. Sci. Technol.,
46, 8773–8781, 2012.
U. S. Bureau of Labor Statistics:
Producer Price Index by Industry, retrieved from FRED, Federal Reserve Bank of St. Louis,
available at: https://fred.stlouisfed.org/categories/31, last access: 21 August 2020.
U. S. Census Bureau: Paint and Allied Products – 2010, MA325F(10),
available at: https://www.census.gov/data/tables/time-series/econ/cir/ma325f.html (last access: 20 August 2020), 2011.
U. S. Census Bureau:
Manufacturing and International Trade Report (MITR): 2016,
Washington, D.C., USA, available at: https://www.census.gov/foreign-trade/Press-Release/MITR/2016/index.html (last access: 28 August 2020), 2016a.
U. S. Census Bureau: 2016 Annual Survey of Manufacturers (ASM), Washington, D.C., USA, available at: https://www.census.gov/data/tables/time-series/econ/asm/2013-2016-asm.html (last access: 11 March 2021), 2016b.
U. S. Census Bureau, Economy Wide Statistics Division:
County Business Patterns,
available at: https://www.census.gov/programs-surveys/cbp/data/datasets.html (last access: 20 August 2020), 2018.
U. S. Census Bureau, Population Division:
Annual Resident Population Estimates, Estimated Components of Resident Population Change, and Rates of the Components of Resident Population Change for States and Counties, available at: https://www.census.gov/data/datasets/time-series/demo/popest/2010s-counties-total.html, last access: 21 August 2020.
U. S. Department of Transportation and the U. S. Department of Commerce:
2012 Commodity Flow Survey, EC12TCF-US,
available at: https://www.census.gov/library/publications/2015/econ/ec12tcf-us.html (last access: 21 August 2020), 2015.
U. S. Energy Information Administration:
The Distribution of U. S. Oil and Natural Gas Wells by Production Rate,
Washington, D.C., available at: https://www.eia.gov/petroleum/wells/ (last access: 21 August 2020), 2019.
U. S. Environmental Protection Agency:
Study of Volatile Organic Compound Emissions from Consumer and Commercial Products, EPA 453/R-94-066, Research Triangle Park, NC, 1995.
U. S. Environmental Protection Agency:
Control Techniques Guidelines for Offset Lithographic Printing and Letterpress Printing, EPA 453/R-06-002,
Research Triangle Park, NC, available at: https://www3.epa.gov/airquality/ctg_act/200609_voc_epa453_r-06-002_litho_letterpress_printing.pdf (last access: 20 August 2020),
2006a.
U. S. Environmental Protection Agency:
Control Techniques Guidelines for Flexible Package Printing, EPA 453/R-06-003,
Research Triangle Park, NC, available at: https://www3.epa.gov/airquality/ctg_act/200609_voc_epa453_r-06-003_flexible_package_printing.pdf (last access: 20 August 2020),
2006b.
U. S. Environmental Protection Agency:
Control Techniques Guidelines for Large Appliance Coatings, EPA 453/R-08-003,
Research Triangle Park, NC, available at: https://www3.epa.gov/airquality/ctg_act/200709_voc_epa453_r-07-004_lg_appliance_coating.pdf (last access: 20 August 2020),
2007.
U. S. Environmental Protection Agency:
Control Techniques Guidelines for Automobile and Light-Duty Truck Assembly Coatings, EPA 453/R-08-006,
Research Triangle Park, NC, available at: https://www3.epa.gov/airquality/ctg_act/200809_voc_epa453_r-08-006_auto_ldtruck_assembly_coating.pdf (last access: 20 August 2020),
2008.
U. S. Environmental Protection Agency:
Integrated Science Assessment for Particulate Matter,
Office of Research and Development, Center for Public Health & Environmental Assessment, RTP (Research Triangle Park), NC 2019a.
U. S. Environmental Protection Agency:
Final Report, SPECIATE Version 5.0, Database Development Documentation, EPA/600/R-19/988,
Research Triangle Park, NC, available at: https://www.epa.gov/air-emissions-modeling/speciate-51-and-50-addendum-and-final-report (last access: 21 August 2020),
2019b.
U. S. Environmental Protection Agency:
Integrated Science Assessment for Ozone and Related Photochemical Oxidants,
Office of Research and Development, Center for Public Health & Environmental Assessment, Research Triangle Park, NC, 2020a.
U. S. Environmental Protection Agency:
2017 National Emissions Inventory (NEI),
Research Triangle Park, NC, available at: https://www.epa.gov/air-emissions-inventories/2017-national-emissions-inventory-nei-data (last access: 20 August 2020),
2020b.
Volkamer, R., Jimenez, J. L., San Martini, F., Dzepina, K., Zhang, Q., Salcedo, D., Molina, L. T., Worsnop, D. R., and Molina, M. J.:
Secondary organic aerosol formation from anthropogenic air pollution: Rapid and higher than expected,
Geophys. Res. Lett., 33, L17811, https://doi.org/10.1029/2006GL026899, 2006.
Warneke, C., McKeen, S. A., de Gouw, J. A., Goldan, P. D., Kuster, W. C., Holloway, J. S., Williams, E. J., Lerner, B. M., Parrish, D. D., Trainer, M., Fehsenfeld, F. C., Kato, S., Atlas, E. L., Baker, A., and Blake, D. R.:
Determination of urban volatile organic compound emission ratios and comparison with an emissions database,
J. Geophys. Res.-Atmos.,
112, D10S47, https://doi.org/10.1029/2006jd007930, 2007.
Warneke, C., de Gouw, J. A., Holloway, J. S., Peischl, J., Ryerson, T. B., Atlas, E., Blake, D., Trainer, M., and Parrish, D. D.:
Multiyear trends in volatile organic compounds in Los Angeles, California: Five decades of decreasing emissions,
J. Geophys. Res.-Atmos., 117, D00V17, https://doi.org/10.1029/2012JD017899, 2012.
Weschler, C. J. and Nazaroff, W. W.:
Semivolatile organic compounds in indoor environments,
Atmos. Environ.,
42, 9018–9040, 2008.
Williams, B. J., Goldstein, A. H., Kreisberg, N. M., Hering, S. V., Worsnop, D. R., Ulbrich, I. M., Docherty, K. S., and Jimenez, J. L.: Major components of atmospheric organic aerosol in southern California as determined by hourly measurements of source marker compounds, Atmos. Chem. Phys., 10, 11577–11603, https://doi.org/10.5194/acp-10-11577-2010, 2010.
Woody, M. C., Baker, K. R., Hayes, P. L., Jimenez, J. L., Koo, B., and Pye, H. O. T.: Understanding sources of organic aerosol during CalNex-2010 using the CMAQ-VBS, Atmos. Chem. Phys., 16, 4081–4100, https://doi.org/10.5194/acp-16-4081-2016, 2016.
Wu, Y. and Johnston, M. V.: Aerosol Formation from OH Oxidation of the Volatile
Cyclic Methyl Siloxane (cVMS) Decamethylcyclopentasiloxane, Environ Sci Technol, 51, 4445–4451, https://doi.org/10.1021/acs.est.7b00655, 2017.
Xu, L., Suresh, S., Guo, H., Weber, R. J., and Ng, N. L.: Aerosol characterization over the southeastern United States using high-resolution aerosol mass spectrometry: spatial and seasonal variation of aerosol composition and sources with a focus on organic nitrates, Atmos. Chem. Phys., 15, 7307–7336, https://doi.org/10.5194/acp-15-7307-2015, 2015.
Zhang, Q., Jimenez, J. L., Canagaratna, M. R., Allan, J. D., Coe, H., Ulbrich, I., Alfarra, M. R., Takami, A., Middlebrook, A. M., Sun, Y. L., Dzepina, K., Dunlea, E., Docherty, K., DeCarlo, P. F., Salcedo, D., Onasch, T., Jayne, J. T., Miyoshi, T., Shimono, A., Hatakeyama, S., Takegawa, N., Kondo, Y., Schneider, J., Drewnick, F., Borrmann, S., Weimer, S., Demerjian, K., Williams, P., Bower, K., Bahreini, R., Cottrell, L., Griffin, R. J., Rautiainen, J., Sun, J. Y., Zhang, Y. M., and Worsnop, D. R.:
Ubiquity and dominance of oxygenated species in organic aerosols in anthropogenically-influenced Northern Hemisphere midlatitudes,
Geophys. Res. Lett., 34, L13801, https://doi.org/10.1029/2007gl029979, 2007.
Zhao, Y. L., Hennigan, C. J., May, A. A., Tkacik, D. S., de Gouw, J. A., Gilman, J. B., Kuster, W. C., Borbon, A., and Robinson, A. L.:
Intermediate-Volatility Organic Compounds: A Large Source of Secondary Organic Aerosol,
Environ. Sci. Technol.,
48, 13743–13750, https://doi.org/10.1021/es5035188, 2014.
Zhu, S. P., Mac Kinnon, M., Shaffer, B. P., Samuelsen, G. S., Brouwer, J., and Dabdub, D.:
An uncertainty for clean air: Air quality modeling implications of underestimating VOC emissions in urban inventories,
Atmos. Environ.,
211, 256–267, https://doi.org/10.1016/j.atmosenv.2019.05.019, 2019.
Short summary
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.
Volatile chemical products (VCPs) are an increasingly important source of anthropogenic reactive...
Altmetrics
Final-revised paper
Preprint