Articles | Volume 13, issue 1
https://doi.org/10.5194/gmd-13-169-2020
© Author(s) 2020. 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-13-169-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Model description paper
| 
27 Jan 2020
Model description paper |
| 27 Jan 2020
AtChem (version 1), an open-source box model for the Master Chemical Mechanism
Roberto Sommariva
CORRESPONDING AUTHOR
Department of Chemistry, University of Leicester, Leicester, UK
School of Geography, Earth and Environmental Sciences, University of Birmingham, Birmingham, UK
Research Software Engineering Team, University of Leicester, Leicester, UK
Chris Martin
School of Chemistry, University of Leeds, Leeds, UK
School of Computing, University of Leeds, Leeds, UK
Kasia Borońska
School of Computing, University of Leeds, Leeds, UK
Jenny Young
School of Chemistry, University of Leeds, Leeds, UK
Peter K. Jimack
School of Computing, University of Leeds, Leeds, UK
Michael J. Pilling
School of Chemistry, University of Leeds, Leeds, UK
Vasileios N. Matthaios
School of Geography, Earth and Environmental Sciences, University of Birmingham, Birmingham, UK
Beth S. Nelson
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, UK
Mike J. Newland
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, UK
Marios Panagi
Department of Chemistry, University of Leicester, Leicester, UK
William J. Bloss
School of Geography, Earth and Environmental Sciences, University of Birmingham, Birmingham, UK
Paul S. Monks
Department of Chemistry, University of Leicester, Leicester, UK
Andrew R. Rickard
Wolfson Atmospheric Chemistry Laboratories, Department of Chemistry, University of York, York, UK
National Centre for Atmospheric Science, University of York, York, UK
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Cited
19 citations as recorded by crossref.
- The pollution levels, variation characteristics, sources and implications of atmospheric carbonyls in a typical rural area of North China Plain during winter J. Wang et al. 10.1016/j.jes.2020.05.003
- PyCHAM (v2.1.1): a Python box model for simulating aerosol chambers S. O'Meara et al. 10.5194/gmd-14-675-2021
- In situ ozone production is highly sensitive to volatile organic compounds in Delhi, India B. Nelson et al. 10.5194/acp-21-13609-2021
- Enhanced Gas Uptake during α-Pinene Ozonolysis Points to a Burying Mechanism A. Vander Wall et al. 10.1021/acsearthspacechem.0c00163
- JlBox v1.1: a Julia-based multi-phase atmospheric chemistry box model L. Huang & D. Topping 10.5194/gmd-14-2187-2021
- Sources of Formaldehyde in Bountiful, Utah N. Bhardwaj et al. 10.3390/atmos12030375
- Large contribution to secondary organic aerosol from isoprene cloud chemistry H. Lamkaddam et al. 10.1126/sciadv.abe2952
- An instrument for in situ measurement of total ozone reactivity R. Sommariva et al. 10.5194/amt-13-1655-2020
- On the photolysis branching ratio of methyl ethyl ketone A. Zborowska et al. 10.1016/j.atmosenv.2021.118383
- Multiphase Kinetic Multilayer Model Interfaces for Simulating Surface and Bulk Chemistry for Environmental and Atmospheric Chemistry Teaching A. Hua et al. 10.1021/acs.jchemed.1c00931
- Enhanced wintertime oxidation of VOCs via sustained radical sources in the urban atmosphere R. Sommariva et al. 10.1016/j.envpol.2021.116563
- Atmospheric Hydrogen Peroxide (H 2 O 2 ) at the Foot and Summit of Mt. Tai: Variations, Sources and Sinks, and Implications for Ozone Formation Chemistry C. Ye et al. 10.1029/2020JD033975
- Ambient nitro-aromatic compounds – biomass burning versus secondary formation in rural China C. Salvador et al. 10.5194/acp-21-1389-2021
- Investigation on the urban ambient isoprene and its oxidation processes C. Gu et al. 10.1016/j.atmosenv.2021.118870
- NO<sub>3</sub> chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO<sub>3</sub> radical M. Newland et al. 10.5194/acp-22-1761-2022
- HONO Budget and Its Role in Nitrate Formation in the Rural North China Plain C. Xue et al. 10.1021/acs.est.0c01832
- Aromatic Photo-oxidation, A New Source of Atmospheric Acidity S. Wang et al. 10.1021/acs.est.0c00526
- INCHEM-Py: An open source Python box model for indoor air chemistry D. Shaw & N. Carslaw 10.21105/joss.03224
- Ozone episodes during and after the 2018 Chinese National Day holidays in Guangzhou: Implications for the control of precursor VOCs J. Wang et al. 10.1016/j.jes.2021.09.009
19 citations as recorded by crossref.
- The pollution levels, variation characteristics, sources and implications of atmospheric carbonyls in a typical rural area of North China Plain during winter J. Wang et al. 10.1016/j.jes.2020.05.003
- PyCHAM (v2.1.1): a Python box model for simulating aerosol chambers S. O'Meara et al. 10.5194/gmd-14-675-2021
- In situ ozone production is highly sensitive to volatile organic compounds in Delhi, India B. Nelson et al. 10.5194/acp-21-13609-2021
- Enhanced Gas Uptake during α-Pinene Ozonolysis Points to a Burying Mechanism A. Vander Wall et al. 10.1021/acsearthspacechem.0c00163
- JlBox v1.1: a Julia-based multi-phase atmospheric chemistry box model L. Huang & D. Topping 10.5194/gmd-14-2187-2021
- Sources of Formaldehyde in Bountiful, Utah N. Bhardwaj et al. 10.3390/atmos12030375
- Large contribution to secondary organic aerosol from isoprene cloud chemistry H. Lamkaddam et al. 10.1126/sciadv.abe2952
- An instrument for in situ measurement of total ozone reactivity R. Sommariva et al. 10.5194/amt-13-1655-2020
- On the photolysis branching ratio of methyl ethyl ketone A. Zborowska et al. 10.1016/j.atmosenv.2021.118383
- Multiphase Kinetic Multilayer Model Interfaces for Simulating Surface and Bulk Chemistry for Environmental and Atmospheric Chemistry Teaching A. Hua et al. 10.1021/acs.jchemed.1c00931
- Enhanced wintertime oxidation of VOCs via sustained radical sources in the urban atmosphere R. Sommariva et al. 10.1016/j.envpol.2021.116563
- Atmospheric Hydrogen Peroxide (H 2 O 2 ) at the Foot and Summit of Mt. Tai: Variations, Sources and Sinks, and Implications for Ozone Formation Chemistry C. Ye et al. 10.1029/2020JD033975
- Ambient nitro-aromatic compounds – biomass burning versus secondary formation in rural China C. Salvador et al. 10.5194/acp-21-1389-2021
- Investigation on the urban ambient isoprene and its oxidation processes C. Gu et al. 10.1016/j.atmosenv.2021.118870
- NO<sub>3</sub> chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO<sub>3</sub> radical M. Newland et al. 10.5194/acp-22-1761-2022
- HONO Budget and Its Role in Nitrate Formation in the Rural North China Plain C. Xue et al. 10.1021/acs.est.0c01832
- Aromatic Photo-oxidation, A New Source of Atmospheric Acidity S. Wang et al. 10.1021/acs.est.0c00526
- INCHEM-Py: An open source Python box model for indoor air chemistry D. Shaw & N. Carslaw 10.21105/joss.03224
- Ozone episodes during and after the 2018 Chinese National Day holidays in Guangzhou: Implications for the control of precursor VOCs J. Wang et al. 10.1016/j.jes.2021.09.009
Latest update: 06 Jun 2023
Short summary
This paper presents the AtChem software, which can be used to build box models for atmospheric chemistry studies. The software is designed to facilitate the use of one of the most important chemical mechanisms used by atmospheric scientists, the Master Chemical Mechanism. AtChem exists in two versions: an on-line application for laboratory studies and educational or outreach activities and an offline version for more complex models and batch simulations. AtChem is open source under MIT License.
This paper presents the AtChem software, which can be used to build box models for atmospheric...
