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

被引:28
作者
BIENIASZ, LK
机构
[1] Kemisk Institut, Aarhus Universitet, 8000 Aarhus C
来源
COMPUTERS & CHEMISTRY | 1993年 / 17卷 / 04期
关键词
D O I
10.1016/0097-8485(93)85015-5
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The second version of the program ELSIM (for an IBM compatible PC) for the simulation of electrochemical kinetic transients has been elaborated, 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-defined electrochemical kinetic partial differential equations (PDEs) in one-dimensional geometry, using a variety of standard finite difference techniques and orthogonal collocation. The rules of the simple PDE language and other aspects of the specification of kinetic problems and solution algorithms are presented and illustrated by examples.
引用
收藏
页码:355 / 368
页数:14
相关论文
共 58 条
[51]   ELECTROANALYTICAL INVESTIGATIONS .2. APPLICATION OF THE ORTHOGONAL COLLOCATION TECHNIQUE TO THE SIMULATION OF CYCLIC VOLTAMMOGRAMS [J].
SPEISER, B ;
RIEKER, A .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1979, 102 (01) :1-20
[52]  
SPEISER B, 1989, SOFTWARE ENTWICKLUNG, V3, P321
[53]  
Tendler J. M., 1978, ACM Transactions on Mathematical Software, V4, P399, DOI 10.1145/356502.356499
[54]  
Tendler J. M., 1978, ACM Transactions on Mathematical Software, V4, P339, DOI 10.1145/356502.356495
[55]  
VETTER KJ, 1961, ELEKTROCHEMISCHE KIN, P209
[56]  
VILLADSEN J, 1978, SOLUTION DIFFERENTIA, V6
[57]   SIMPLE, FAST NUMERICAL-METHOD FOR SOLUTION OF A WIDE VARIETY OF ELECTROCHEMICAL DIFFUSION PROBLEMS [J].
WHITING, LF ;
CARR, PW .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1977, 81 (01) :1-20
[58]   IMPLICIT FINITE-DIFFERENCE METHOD SIMULATION OF SPECTRO-ELECTROCHEMICAL WORKING CURVES [J].
WINOGRAD, N .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1973, 43 (01) :1-8