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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- 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
- Extreme Concentrations of Nitric Oxide Control Daytime Oxidation and Quench Nocturnal Oxidation Chemistry in Delhi during Highly Polluted Episodes B. Nelson et al. 10.1021/acs.estlett.3c00171
- 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
- Overview of ICARUS─A Curated, Open Access, Online Repository for Atmospheric Simulation Chamber Data T. Nguyen et al. 10.1021/acsearthspacechem.3c00043
- 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
- Source apportionment of gaseous Nitrophenols and their contribution to HONO formation in an urban area M. Ahmed et al. 10.1016/j.chemosphere.2023.139499
- Daytime isoprene nitrates under changing NOx and O3 A. Mayhew et al. 10.5194/acp-23-8473-2023
- Box Model Applications for Atmospheric Chemistry Research: Photochemical Reactions and Ozone Formation S. Park 10.5572/KOSAE.2023.39.5.627
- Ambient nitro-aromatic compounds – biomass burning versus secondary formation in rural China C. Salvador et al. 10.5194/acp-21-1389-2021
- 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
- Fundamental oxidation processes in the remote marine atmosphere investigated using the NO–NO2–O3 photostationary state S. Andersen et al. 10.5194/acp-22-15747-2022
- INCHEM-Py: An open source Python box model for indoor air chemistry D. Shaw & N. Carslaw 10.21105/joss.03224
- Evaluating the contribution of the unexplored photochemistry of aldehydes on the tropospheric levels of molecular hydrogen (H2) M. Pérez-Peña et al. 10.5194/acp-22-12367-2022
- 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
- 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
- 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
- JlBox v1.1: a Julia-based multi-phase atmospheric chemistry box model L. Huang & D. Topping 10.5194/gmd-14-2187-2021
- Radical chemistry and ozone production at a UK coastal receptor site R. Woodward-Massey et al. 10.5194/acp-23-14393-2023
- Analyzing ozone formation sensitivity in a typical industrial city in China: Implications for effective source control in the chemical transition regime Y. Niu et al. 10.1016/j.scitotenv.2024.170559
- Ozone Formation at a Suburban Site in the Pearl River Delta Region, China: Role of Biogenic Volatile Organic Compounds J. Wang et al. 10.3390/atmos14040609
- Evaluation of local measurement-driven adjustments of modelled cloud-free atmospheric photolysis rate coefficients H. Walker et al. 10.1039/D2EA00072E
- Rapid Adaptive Optimization Model for Atmospheric Chemistry (ROMAC) v1.0 J. Li et al. 10.5194/gmd-16-6049-2023
- Factors Influencing the Formation of Nitrous Acid from Photolysis of Particulate Nitrate R. Sommariva et al. 10.1021/acs.jpca.3c03853
- INCHEM-Py v1.2: a community box model for indoor air chemistry D. Shaw et al. 10.5194/gmd-16-7411-2023
- Observationally Constrained Modeling of Peroxy Radical During an Ozone Episode in the Pearl River Delta Region, China J. Wang et al. 10.1029/2022JD038279
- Evaluation of isoprene nitrate chemistry in detailed chemical mechanisms A. Mayhew et al. 10.5194/acp-22-14783-2022
- 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
- Examining the Summertime Ozone Formation Regime in Southeast Michigan Using MOOSE Ground‐Based HCHO/NO2 Measurements and F0AM Box Model Y. Xiong et al. 10.1029/2023JD038943
- 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
Latest update: 19 Apr 2024
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...
