BENCHMARKING STIFF ODE SOLVERS FOR ATMOSPHERIC CHEMISTRY PROBLEMS .1.IMPLICIT VS EXPLICIT

Citation
A. Sandu et al., BENCHMARKING STIFF ODE SOLVERS FOR ATMOSPHERIC CHEMISTRY PROBLEMS .1.IMPLICIT VS EXPLICIT, Atmospheric environment, 31(19), 1997, pp. 3149-3164
Citations number
29
Categorie Soggetti
Environmental Sciences","Metereology & Atmospheric Sciences
Journal title
ISSN journal
13522310
Volume
31
Issue
19
Year of publication
1997
Pages
3149 - 3164
Database
ISI
SICI code
1352-2310(1997)31:19<3149:BSOSFA>2.0.ZU;2-P
Abstract
In many applications of atmospheric transport-chemistry problems, a ma jor 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 dedic ated explicit and four implicit solvers for a set of seven benchmark p roblems from actual applications.-The implicit solvers use sparse matr ix techniques to economize on the numerical linear algebra overhead. A s a result they are often more efficient than the dedicated explicit o nes, particularly when approximately two or more figures of accuracy a re required. In most test cases, sparse RODAS, a Rosenbrock solver, ca me out as most competitive in the 1% error region. Of the dedicated ex plicit solvers, TWOSTEP came out as best. When less than 1% accuracy i s aimed at, this solver performs very efficiently for tropospheric gas -phase problems. However, like all other dedicated explicit solvers, i t 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, ale woul d like to consider this paper an open invitation for other groups to a dd new representative test problems to those described here and to ben chmark their numerical algorithms in our standard computational enviro nment. (C) 1997 Elsevier Science Ltd.