Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] addu_v1_0.gz(11 Kbytes)
Manuscript Title: CHEMSODE: a stiff ODE solver for the equations of chemical kinetics.
Authors: C.J. Aro
Program title: CHEMSODE
Catalogue identifier: ADDU_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 97(1996)304
Programming language: Fortran.
Computer: CRAY 2.
Operating system: UNIX, UNICOS, Apple System 7.
Keywords: General purpose, Differential equations, Molecular physics, Chemistry atmospheric, Preconditioning, Stiff odes, Chemical kinetics.
Classification: 4.3, 16.12.

Nature of problem:
This code is used to numerically solve systems of ODEs from chemical kinetics. It has been successfully applied as a research tool in several settings, including a full three-dimensional atmospheric chemical-radiative-transport model.

Solution method:
The code offers three different examples of "preconditioned time differencing" methods [1]. These ODE time-stepping methods are created by combining an implicit ODE time-stepping method with an iterative technique for solving simultaneous systems of algebraic equations.

Running time:
This is strongly problem dependent and can be dramatically afected by both the size of the ODE system to be solved and the stiffness present in that system. The example problem provided should require no more than 3-5 minutes on a typical workstation.

[1] C.J. Aro and G.H. Rodrigue, Comp. Phys. Commun. 92(1995)27-53.