Programs in Physics & Physical Chemistry
|[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.
The code offers three different examples of "preconditioned time differencing" methods . 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.
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.
|||C.J. Aro and G.H. Rodrigue, Comp. Phys. Commun. 92(1995)27-53.|
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