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Solving reduced chemical models in Air Pollution Modelling

Abstract : This article follows [R. Djouad, B. Sportisse, Appl. Numer. Math. 43 (2002) 383] in which we have proposed an automatic method in order to generate reduced atmospheric chemical mechanisms. On the basis of the slow/fast behaviour of chemical kinetics the exact model is replaced by a differential-algebraic system. We propose here an easy to perform algorithm in order to integrate such systems with a low CPU cost. Comparison is made with some classical solvers such as Euler Backward Implicit (EBI), QSSA and the second-order Rosenbrock method ROS2. This proves the efficiency and the accuracy of the proposed algorithm. We also show that the classical QSSA-like methods cannot be used apart from the framework of reduction procedures, which explains their rather poor accuracy.
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Contributor : Brigitte Briot Connect in order to contact the contributor
Submitted on : Monday, October 18, 2010 - 2:52:02 PM
Last modification on : Friday, February 4, 2022 - 3:08:32 AM

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Rafik Djouad, Bruno Sportisse. Solving reduced chemical models in Air Pollution Modelling. Applied Numerical Mathematics, Elsevier, 2003, 44 (1-2), pp.49-61. ⟨10.1016/S0168-9274(02)00142-3⟩. ⟨inria-00527187⟩



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