Grantee Research Project Results
Publications Details for Grant Number R840014
Improving chemical mechanisms for regional/global models in support of US air quality management: application to the GEOS-Chem model
RFA:
Chemical Mechanisms to Address New Challenges in Air Quality Modeling (2019)
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| Reference Type | Reference Title | Journal | Author | Citation | Progress Report Year | Document Sources |
|---|---|---|---|---|---|---|
| Journal Article | Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models | ATMOSPHERIC CHEMISTRY AND PHYSICS | Bates K, Jacob D, Li K, Ivatt P, Evans M, Yan Y, Lin J | Bates K, Jacob D, Li K, Ivatt P, Evans M, Yan Y, Lin J. Development and evaluation of a new compact mechanism for aromatic oxidation in atmospheric models. Atmospheric Chemistry and Physics 2021;21(24):18351-18374. |
R840014 (2021) R840014 (2023) R840014 (Final) |
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| Journal Article | An Online-Learned Neural Network Chemical Solver for Stable Long-Term Global Simulations of Atmospheric Chemistry | JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS | Kelp M, Jacob D, Lin H, Sulprizio M | Kelp M, Jacob D, Lin H, Sulprizio M. An online-learned neural network chemical solver for stable long-term gobal simulations of atmospheric chemistry. Journal of Advances in Modeling Earth Systems 2022;14(6). |
R840014 (2021) R840014 (2023) R840014 (Final) |
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| Journal Article | Global modeling of cloud water acidity, precipitation acidity, and acid inputs to ecosystems. | ATMOSPHERIC CHEMISTRY AND PHYSICS | Shah V, Jacob DJ, Moch JM, Wang X, Zhai S | Shah V, Jacob DJ, Moch JM, Wang X, Zhai S. Global modeling of cloud water acidity, precipitation acidity, and acid inputs to ecosystems. Atmospheric Chemistry and Physics 2020;20:12223–45. |
R840014 (2023) R840014 (Final) |
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| Journal Article | Particulate nitrate photolysis as a possible driver of rising tropospheric ozone. | None | Shah V, Keller CA, Knowland KE, Christiansen A, Hu L, Wang H | Shah V, Keller CA, Knowland KE, Christiansen A, Hu L, Wang H, et al. Particulate nitrate photolysis as a possible driver of rising tropospheric ozone. Geophysical Research Letters. 2024;51(5):e2023GL107980. |
R840014 (Final) |
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| Journal Article | Background nitrogen dioxide (NO2) over the United States and its implications for satellite observations and trends: effects of nitrate photolysis, aircraft, and open fires | None | Wang R, Jacob D, Shah V, Eastham S, Fritz T, Mickley L, Liu T, Wang Y, Wang J | Wang R, Jacob D, Shah V, Eastham S, Fritz T, Mickley L, Liu T, Wang Y, Wang J. Background nitrogen dioxide (NO2) over the United States and its implications for satellite observations and trends:effects of nitrate photolysis, aircraft, and open fires. Atmospheric Chemistry and Physics 2023;23(11):6271-6284. |
R840014 (2022) |
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| Journal Article | Toward stable, general machine-learned models of the atmospheric chemical system. | None | Kelp MM, Jacob DJ, Kutz JN, Marshall JD, Tessum CW | Kelp MM, Jacob DJ, Kutz JN, Marshall JD, Tessum CW. Toward stable, general machine-learned models of the atmospheric chemical system. Journal of Geophysical Research-Atmospheres 2020;125:e2020JD032759. |
R835873 (2020) R835873 (Final) R840012 (2021) R840012 (2022) R840012 (2023) R840012 (Final) R840014 (2023) R840014 (Final) |
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| Journal Article | An adaptive method for speeding up the numerical integration of chemical mechanisms in atmospheric chemistry models :Application to GEOS-Chem version 12.0.0. | GEOSCIENTIFIC MODEL DEVELOPMENT | Shen L, Jacob DJ, Santillana M, Wang X, Chen W | Shen L, Jacob DJ, Santillana M, Wang X, Chen W. An adaptive method for speeding up the numerical integration of chemical mechanisms in atmospheric chemistry models:Application to GEOS-Chem version 12.0.0. Geoscientific Model Development 2020;13:2475–86. doi:10.5194/gmd-13-2475-2020. |
R840014 (Final) |
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| Journal Article | Improved mechanistic model of the atmospheric redox chemistry of mercury. | ENVIRONMENTAL SCIENCE & TECHNOLOGY | Shah V, Jacob DJ, Thackray CP, Wang X, Sunderland EM, Dibble TS, Saiz-Lopez A, Černušák I, Kellö V, Castro PJ, Wu R, Wang C | Shah V, Jacob DJ, Thackray CP, Wang X, Sunderland EM, Dibble TS, Saiz-Lopez A, Černušák I, Kellö V, Castro PJ, Wu R, Wang C. Improved mechanistic model of the atmospheric redox chemistry of mercury. Environmental Science & Technology 2021; doi:10.1021/acs.est.1c03160. |
R840014 (2023) R840014 (Final) |
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| Journal Article | The global budget of atmospheric methanol: New constraints on secondary, oceanic, and terrestrial Sources. | JOURNAL OF GEOPHYSICAL RESESEARCH-ATMOSPHERE | Bates KH, Jacob DJ, Wang S, Hornbrook RS, Apel EC, Kim MJ, Millet DB, Wells KC, Chen X, Brewer JF, Ray EA, Commane R, Diskin GS, Wofsy SC | Bates KH, Jacob DJ, Wang S, Hornbrook RS, Apel EC, Kim MJ, Millet DB, Wells KC, Chen X, Brewer JF, Ray EA, Commane R, Diskin GS, Wofsy SC. The global budget of atmospheric methanol:New constraints on secondary, oceanic, and terrestrial Sources. Journal of Geophysical Research-Atmosphere 2021;126:e2020JD033439. |
R840014 (2023) R840014 (Final) |
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| Journal Article | Global tropospheric halogen (Cl, Br, I) chemistry and its impact on oxidants. | ATMOSPHERIC CHEMISTRY AND PHYSICS | Wang X, Jacob DJ, Downs W, Zhai S, Zhu L, Shah V, Holmes CD, Sherwen T, Alexander B, Evans MJ, Eastham SD, Neuman JA, Veres P, Koenig TK, Volkamer R, Huey LG, et al | Wang X, Jacob DJ, Downs W, Zhai S, Zhu L, Shah V, Holmes CD, Sherwen T, Alexander B, Evans MJ, Eastham SD, Neuman JA, Veres P, Koenig TK, Volkamer R, Huey LG, et al. Global tropospheric halogen (Cl, Br, I) chemistry and its impact on oxidants. Atmospheric Chemistry and Physics 2021:1–34. |
R840014 (2023) R840014 (Final) |
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| Journal Article | Background nitrogen dioxide (NO2) over the United States and its implications for satellite observations and trends:effects of nitrate photolysis, aircraft, and open fires. | None | Dang R, Jacob DJ, Shah V, Eastham SD, Fritz TM, Mickley LJ, Liu T, Wang Y, Wang J | Dang R, Jacob DJ, Shah V, Eastham SD, Fritz TM, Mickley LJ, Liu T, Wang Y, Wang J. Background nitrogen dioxide (NO2) over the United States and its implications for satellite observations and trends:effects of nitrate photolysis, aircraft, and open fires. Atmospheric Chemistry and Physics 2023;23:6271–84. doi:10.5194/acp-23-6271-2023. |
R840014 (2023) R840014 (Final) |
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| Journal Article | An adaptive auto-reduction solver for speeding up integration of chemical kinetics in atmospheric chemistry models:Implementation and evaluation in the Kinetic Pre-Processor (KPP) Version 3. | JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS | Lin H, Long MS, Sander R, Sandu A, Yantosca RM, Estrada LA, Shen L, Jacob DJ | Lin H, Long MS, Sander R, Sandu A, Yantosca RM, Estrada LA, Shen L, Jacob DJ. An adaptive auto-reduction solver for speeding up integration of chemical kinetics in atmospheric chemistry models:Implementation and evaluation in the Kinetic Pre-Processor (KPP) Version 3.0.0. Journal of Advances in Modeling Earth Systems 2023;15:e2022MS003293. doi:10.1029/2022MS003293. |
R840014 (2023) R840014 (Final) |
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| Journal Article | Nitrogen oxides in the free troposphere: Implications for tropospheric oxidants and the interpretation of satellite NO2 measurements. | ATMOSPHERIC CHEMISTRY AND PHYSICS | Shah V, Jacob DJ, Dang R, Lamsal LN, Strode SA, Steenrod SD, Boersma KF, Eastham SD, Fritz TM, Thompson C, Peischl J, Bourgeois I, Pollack IB, Nault BA, Cohen RC, Campuzano-Jost P, et al | Shah V, Jacob DJ, Dang R, Lamsal LN, Strode SA, Steenrod SD, Boersma KF, Eastham SD, Fritz TM, Thompson C, Peischl J, Bourgeois I, Pollack IB, Nault BA, Cohen RC, Campuzano-Jost P, et al. Nitrogen oxides in the free troposphere:Implications for tropospheric oxidants and the interpretation of satellite NO2 measurements. Atmospheric Chemistry and Physics 2023;23:1227–57. doi:10.5194/acp-23-1227-2023. |
R840014 (2023) R840014 (Final) |
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| Journal Article | A machine-learning-guided adaptive algorithm to reduce the computational cost of integrating kinetics in global atmospheric chemistry models: Application to GEOS-Chem versions 12. | None | Shen L, Jacob DJ, Santillana M, Bates K, Zhuang J, Chen W | Shen L, Jacob DJ, Santillana M, Bates K, Zhuang J, Chen W. A machine-learning-guided adaptive algorithm to reduce the computational cost of integrating kinetics in global atmospheric chemistry models: Application to GEOS-Chem versions 12.0.0 and 12.9.1. Geoscientific Model Development 2022;15:1677–87. doi:10.5194/gmd-15-1677-2022. |
R840014 (2023) R840014 (Final) |
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| Journal Article | Emerging investigator series:aqueous oxidation of isoprene-derived organic aerosol species as a source of atmospheric formic and acetic acids. | None | Bates KH, Jacob DJ, Cope JD, Chen X, Millet DB, Nguyen TB | Bates KH, Jacob DJ, Cope JD, Chen X, Millet DB, Nguyen TB. Emerging investigator series:aqueous oxidation of isoprene-derived organic aerosol species as a source of atmospheric formic and acetic acids. Environmental Science:Atmospheres. 2023;3(11):1651-64. |
R840014 (Final) |
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| Journal Article | Impacts of updated reaction kinetics on the global GEOS-Chem simulation of atmospheric chemistry | None | Bates K, Evans M, Henderson B, and Jacob D | Bates KH, Evans MJ, Henderson BH, Jacob DJ. Impacts of updated reaction kinetics on the global GEOS-Chem simulation of atmospheric chemistry. Geoscientific Model Development. 2024;17(4):1511-24. |
R840014 (2023) R840014 (Final) |
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The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.