An evaluation of explicit pseudo-steady-state approximation schemes for stiff ODE systems from chemical kinetics
type: Item
instance of: scholarly article
title: An evaluation of explicit pseudo-steady-state approximation schemes for stiff ODE systems from chemical kinetics
zbMATH Open document ID: 0810.65068
published in: Journal of Computational Physics
publication date: 1994-10-17T00:00:00Z
full work available at URL: https://ir.cwi.nl/pub/1475
review text: Systems of ordinary differential equations (ODEs) describing chemical kinetics problems are considered. Many applications, such as those from air pollution modeling, give rise to a system of partial differential equations of the advection-diffusion-reaction type in which the ODE system occurs as the reaction part. Splitting is a popular approach for solving this kind of problems. Splitting involves the numerical integration of the ODE system at every grid point of the mesh for each step of the operator splitting method. The so-called pseudo-steady-state approximation (PSSA) is applied. For a number of stiff ODEs from atmospheric chemistry a simple, easy-to-use PSSA solver is compared with two state-of-the-art solvers from the stiff ODE field, the implicit Runge-Kutta code, developed by \textit{E. Hairer} and \textit{G. Wanner} [Solving ordinary differential equations. II: Stiff and differential-algebraic problems (1991; Zbl 0729.65051)] and the implicit backward differentiation code, developed by \textit{L. R. Petzold} [cf. \textit{K. E. Brenan, S. L. Campbell} and \textit{L. R. Petzold}, Numerical solution of initial-value problems in differential-algebraic equations (1989; Zbl 0699.65057)]. It is shown that in most cases the implicit codes can be made more efficient, even for the low accuracy range that is of interest for reactive flow problems.
Mathematics Subject Classification ID: 65L05
Mathematics Subject Classification ID: 65L06
Mathematics Subject Classification ID: 65M20
Mathematics Subject Classification ID: 35K57
Mathematics Subject Classification ID: 91C99
Mathematics Subject Classification ID: 34A34
Mathematics Subject Classification ID: 80A30
Mathematics Subject Classification ID: 34E13
zbMATH DE Number: 651892
zbMATH Keywords: stiff systems
zbMATH Keywords: systems
zbMATH Keywords: splitting
zbMATH Keywords: chemical kinetics
zbMATH Keywords: air pollution modeling
zbMATH Keywords: pseudo-steady-state approximation
zbMATH Keywords: atmospheric chemistry
zbMATH Keywords: implicit Runge-Kutta code
zbMATH Keywords: implicit backward differentiation code
author: J. G. Verwer
author: Mark van Loon
reviewed by: I. Dimov
MaRDI profile type: Publication
OpenAlex ID: W2147321383
DOI: 10.1006/JCPH.1994.1141
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description: scientific article; zbMATH DE number 651892