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Volume 11, issue 8 | Copyright
Geosci. Model Dev., 11, 3391-3407, 2018
https://doi.org/10.5194/gmd-11-3391-2018
© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.

Development and technical paper 21 Aug 2018

Development and technical paper | 21 Aug 2018

Accelerating simulations using REDCHEM_v0.0 for atmospheric chemistry mechanism reduction

Zacharias Marinou Nikolaou1, Jyh-Yuan Chen2, Yiannis Proestos3, Jos Lelieveld3,4, and Rolf Sander4 Zacharias Marinou Nikolaou et al.
  • 1Computation-based Science and Technology Research Center (CaSToRC), The Cyprus Institute, Nicosia, 2121, Cyprus
  • 2University of California at Berkeley, Department of Mechanical Engineering, 6163 Etcheverry Hall, Mailstop 1740, California, USA
  • 3Energy, Environment and Water Research Center (EEWRC), The Cyprus Institute, Nicosia, 2121, Cyprus
  • 4Max Planck Institute for Chemistry, Atmospheric Chemistry Department, 55128 Mainz, Germany

Abstract. Chemical mechanism reduction is common practice in combustion research for accelerating numerical simulations; however, there have been limited applications of this practice in atmospheric chemistry. In this study, we employ a powerful reduction method in order to produce a skeletal mechanism of an atmospheric chemistry code that is commonly used in air quality and climate modelling. The skeletal mechanism is developed using input data from a model scenario. Its performance is then evaluated both a priori against the model scenario results and a posteriori by implementing the skeletal mechanism in a chemistry transport model, namely the Weather Research and Forecasting code with Chemistry. Preliminary results, indicate a substantial increase in computational speed-up for both cases, with a minimal loss of accuracy with regards to the simulated spatio-temporal mixing ratio of the target species, which was selected to be ozone.

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Chemistry is an important component of the atmosphere that describes many important physical processes. However, atmospheric chemical mechanisms include hundreds of species and reactions, posing a significant computational load. In this work, we use a powerful reduction method in order to develop a computationally faster chemical mechanism from a detailed mechanism. This enables accelerated simulations, which can be used to examine a wider range of processes in increased detail.
Chemistry is an important component of the atmosphere that describes many important physical...
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