Journal article
Benchmarking stiff ode solvers for atmospheric chemistry problems-I. implicit vs explicit
Atmospheric environment (1994), Vol.31(19), pp.3151-3166
1997
DOI: 10.1016/S1352-2310(97)00059-9
Abstract
In many applications of atmospheric transport-chemistry problems, a major task is the numerical integration of the stiff systems of ordinary differential equations describing the chemical transformations. This paper presents a comprehensive numerical comparison between five dedicated explicit and four implicit solvers for a set of seven benchmark problems from actual applications. The implicit solvers use sparse matrix techniques to economize on the numerical linear algebra overhead. As a result they are often more efficient than the dedicated explicit ones, particularly when approximately two or more figures of accuracy are required. In most test cases, sparse RODAs, a Rosenbrock solver, came out as most competitive in the 1% error region. Of the dedicated explicit solvers, TWOSTEP came out as best. When less than 1% accuracy is aimed at, this solver performs very efficiently for tropospheric gas-phase problems. However, like all other dedicated explicit solvers, it cannot efficiently deal with gas-liquid phase chemistry. The results presented may constitute a guide for atmospheric modelers to select a suitable integrator based on the type and dimension of their chemical mechanism and on the desired level of accuracy. Furthermore, we would like to consider this paper an open invitation for other groups to add new representative test problems to those described here and to benchmark their numerical algorithms in our standard computational environment.
Details
- Title: Subtitle
- Benchmarking stiff ode solvers for atmospheric chemistry problems-I. implicit vs explicit
- Creators
- A Sandu - Program in Applied Mathematics and Computational Sciences, The University of Iowa, Iowa City, IA 52246, U.S.AJ.G Verwer - Center for Mathematics and Computer Science (CWI), P.O. Box 94079, 1090 GB Amsterdam, The NetherlandsM Van Loon - Center for Mathematics and Computer Science (CWI), P.O. Box 94079, 1090 GB Amsterdam, The NetherlandsG.R Carmichael - Center for Global and Regional Environmental Research and the Department of Chemical and Biochemical Engineering, The University of Iowa, Iowa City, IA 52246, U.S.AF.A Potra - Departments of Mathematics and Computer Science, The University of Iowa, Iowa City, IA 52246, U.S.AD Dabdub - Department of Mechanical and Aerospace Engineering, University of California Irvine, Irvine, CA 92717-3975, U.S.AJ.H Seinfeld - Department of Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, U.S.A
- Resource Type
- Journal article
- Publication Details
- Atmospheric environment (1994), Vol.31(19), pp.3151-3166
- DOI
- 10.1016/S1352-2310(97)00059-9
- ISSN
- 1352-2310
- eISSN
- 1873-2844
- Publisher
- Elsevier Ltd
- Language
- English
- Date published
- 1997
- Academic Unit
- Civil and Environmental Engineering; Nursing; Chemical and Biochemical Engineering
- Record Identifier
- 9984003996802771
Metrics
38 Record Views