ELSIM - A PC PROGRAM FOR ELECTROCHEMICAL KINETIC SIMULATIONS - VERSION-2.0 - SOLUTION OF THE SETS OF KINETIC PARTIAL-DIFFERENTIAL EQUATIONSIN ONE-DIMENSIONAL GEOMETRY, USING FINITE-DIFFERENCE AND ORTHOGONAL COLLOCATION METHODS

Authors
Citation
Lk. Bieniasz, ELSIM - A PC PROGRAM FOR ELECTROCHEMICAL KINETIC SIMULATIONS - VERSION-2.0 - SOLUTION OF THE SETS OF KINETIC PARTIAL-DIFFERENTIAL EQUATIONSIN ONE-DIMENSIONAL GEOMETRY, USING FINITE-DIFFERENCE AND ORTHOGONAL COLLOCATION METHODS, Computers & chemistry, 17(4), 1993, pp. 355-368
Citations number
58
Categorie Soggetti
Computer Application, Chemistry & Engineering",Chemistry,"Computer Science Interdisciplinary Applications
Journal title
ISSN journal
00978485
Volume
17
Issue
4
Year of publication
1993
Pages
355 - 368
Database
ISI
SICI code
0097-8485(1993)17:4<355:E-APPF>2.0.ZU;2-P
Abstract
The second version of the program ELSIM (for an IBM compatible PC) for the simulation of electrochemical kinetic transients has been elabora ted, based on the previously proposed method-oriented approach to the formulation of algorithms for electrochemical kinetic simulations. The program allows direct numerical solution of a large class of user-def ined electrochemical kinetic partial differential equations (PDEs) in one-dimensional geometry, using a variety of standard finite differenc e techniques and orthogonal collocation. The rules of the simple PDE l anguage and other aspects of the specification of kinetic problems and solution algorithms are presented and illustrated by examples.