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Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
https://doi.org/10.5194/gmd-2018-106
© Author(s) 2018. This work is distributed under
the Creative Commons Attribution 4.0 License.
Development and technical paper
20 Apr 2018
Review status
This discussion paper is a preprint. It is a manuscript under review for the journal Geoscientific Model Development (GMD).
Accelerating simulations using Direct Relation Graphs for atmospheric chemistry mechanism reduction
Zacharias Marinou Nikolaou1, Jyh-Yuan Chen2, Yiannis Proestos3, Johannes Lelieveld3,4, and Rolph Sander4 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, 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 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, and its performance is evaluated both a priori against the model scenario results, but also 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 speedup for both cases, with a minimal loss of accuracy with regards to the spatio-temporal mixing ratio of the target species, which was selected to be ozone.
Citation: Nikolaou, Z. M., Chen, J.-Y., Proestos, Y., Lelieveld, J., and Sander, R.: Accelerating simulations using Direct Relation Graphs for atmospheric chemistry mechanism reduction, Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2018-106, in review, 2018.
Zacharias Marinou Nikolaou et al.
Zacharias Marinou Nikolaou et al.
Zacharias Marinou Nikolaou et al.

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