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
| 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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- In situ ozone production is highly sensitive to volatile organic compounds in Delhi, India B. Nelson et al. 10.5194/acp-21-13609-2021
- A Box-Model Simulation of the Formation of Inorganic Ionic Particulate Species and Their Air Quality Implications in Republic of Korea H. Lee et al. 10.5572/ajae.2022.119
- The Importance of Capturing Local Measurement-Driven Adjustment of Modelled j(NO2) H. Walker et al. 10.3390/atmos13071065
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- Observationally Constrained Modeling of Peroxy Radical During an Ozone Episode in the Pearl River Delta Region, China J. Wang et al. 10.1029/2022JD038279
- Atmospheric Hydrogen Peroxide (H2O2) 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
- Tropospheric alkene ozonolysis chemistry: an extended computational chemistry assessment of structural effects N. Watson et al. 10.1039/D4VA00298A
- Ozone Formation in a Representative Urban Environment: Model Discrepancies and Critical Roles of Oxygenated Volatile Organic Compounds X. Huang et al. 10.1021/acs.estlett.4c01026
- Investigation on the urban ambient isoprene and its oxidation processes C. Gu et al. 10.1016/j.atmosenv.2021.118870
- 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
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- MultilayerPy (v1.0): a Python-based framework for building, running and optimising kinetic multi-layer models of aerosols and films A. Milsom et al. 10.5194/gmd-15-7139-2022
- Enhanced Gas Uptake during α-Pinene Ozonolysis Points to a Burying Mechanism A. Vander Wall et al. 10.1021/acsearthspacechem.0c00163
- Long-term reconstruction of NO2 photolysis rate coefficients using machine learning and its impact on secondary pollution: A case study in a megacity of the Sichuan Basin, China T. Li et al. 10.1016/j.apr.2025.102526
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- 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
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Latest update: 09 May 2025
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...
