Two special-purpose solvers for chemical kinetics problems, a QSSA method and TWOSTEP, together with the state-of-the-art stiff solver VODE, provided with sparse matrix routines, are considered for application in an atmospheric model. Of all three methods a short description is given. A comparison is made for a chemical model describing (parametrized) ozone chemistry. The code TWOSTEP turns out to be a good alternative for the QSSA solver as regards accuracy and to outperform VODE with respect to computation time for accuracies near 1.

Ordinary Differential Equations (acm G.1.7), Numerical Linear Algebra (acm G.1.3)
Initial value problems (msc 65L05), Chemical kinetics (msc 80A30)
CWI
Department of Numerical Mathematics [NM]

van Loon, M. (1995). Fast and efficient solution methods for ozone chemistry. Department of Numerical Mathematics [NM]. CWI.