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AtChem (version 1), an open-source box model for the Master Chemical Mechanism

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Author(s)

  • Roberto Sommariva
  • Sam Cox
  • Chris Martin
  • Kasia Borońska
  • Jenny Young
  • Peter Jimack
  • Michael J. Pilling
  • Vasileios Matthaios
  • Bethany Nelson
  • Mike Newland
  • Panagi Marios Panagi
  • William J. Bloss
  • Paul S. Monks
  • Andrew Robert Rickard

Department/unit(s)

Publication details

JournalGeoscientific Model Development
DateAccepted/In press - 16 Dec 2019
DatePublished (current) - 27 Jan 2020
Volume13
Number of pages15
Pages (from-to)169-183
Original languageEnglish

Abstract

AtChem is an open-source zero-dimensional
box model for atmospheric chemistry. Any general set
of chemical reactions can be used with AtChem, but the
model was designed specifically for use with the Master
Chemical Mechanism (MCM, http://mcm.york.ac.uk/,
last access: 16 January 2020). AtChem was initially developed
within the EUROCHAMP project as a web application
(AtChem-online, https://atchem.leeds.ac.uk/webapp/,
last access: 16 January 2020) for modelling environmental
chamber experiments; it was recently upgraded and further
developed into a stand-alone offline version (AtChem2),
which allows the user to run complex and long simulations,
such as those needed for modelling of intensive field campaigns,
as well as to perform batch model runs for sensitivity
studies. AtChem is installed, set up and configured using
semi-automated scripts and simple text configuration files,
making it easy to use even for inexperienced users. A key
feature of AtChem is that it can easily be constrained to observational
data which may have different timescales, thus retaining
all the information contained in the observations. Implementation
of a continuous integration workflow, coupled
with a comprehensive suite of tests and version control software,
makes the AtChem code base robust, reliable and traceable.
The AtChem2 code and documentation are available at
https://github.com/AtChem/ (last access: 16 January 2020)
under the open-source MIT License.

Bibliographical note

© Author(s) 2020.

Part of the "Simulation chambers as tools in atmospheric research" special issue (AMT/ACP/GMD inter-journal SI)

https://doi.org/10.5194/gmd-13-169-2020

    Research areas

  • Atmospheric Chemistry, Simulation chambers, Box modelling, CHEMICAL MECHANISM DEVELOPMENT, field experiments

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