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Open AccessArticle

Chemical Mechanism Solvers in Air Quality Models

Computational Science Laboratory, Department of Computer Science, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061-0106, USA
Northrop Grumman Electronic Systems. 7323 Aviation Blvd., Linthicum, MD 21240, USA
Air Chemistry Department, Max-Planck Institute of Chemistry, P.O. Box 3060, Mainz 55020, Germany
Author to whom correspondence should be addressed.
The paper is dedicated to the memory of Dr. Daewon Byun, whose work remains a lasting legacy tothe field of air quality modeling and simulation.
Atmosphere 2011, 2(3), 510-532;
Received: 18 July 2011 / Revised: 22 August 2011 / Accepted: 31 August 2011 / Published: 13 September 2011
(This article belongs to the Special Issue Air Pollution Modeling: Reviews of Science Process Algorithms)
The solution of chemical kinetics is one of the most computationally intensivetasks in atmospheric chemical transport simulations. Due to the stiff nature of the system,implicit time stepping algorithms which repeatedly solve linear systems of equations arenecessary. This paper reviews the issues and challenges associated with the construction ofefficient chemical solvers, discusses several families of algorithms, presents strategies forincreasing computational efficiency, and gives insight into implementing chemical solverson accelerated computer architectures. View Full-Text
Keywords: chemical mechanisms; stiff solvers; sparsity; KPP; parallelism; acceleratorarchitectures; KPPA chemical mechanisms; stiff solvers; sparsity; KPP; parallelism; acceleratorarchitectures; KPPA
MDPI and ACS Style

Zhang, H.; Linford, J.C.; Sandu, A.; Sander, R. Chemical Mechanism Solvers in Air Quality Models. Atmosphere 2011, 2, 510-532.

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