ACCURACY CONTOURS IN (NT,LAMBDA) SPACE IN ELECTROCHEMICAL DIGITAL SIMULATIONS

被引:3
作者
BRITZ, D [1 ]
NIELSEN, MF [1 ]
机构
[1] HC ORSTED INST,DEPT GEN & ORGAN CHEM,DK-2100 COPENHAGEN,DENMARK
关键词
D O I
10.1135/cccc19910020
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In finite difference simulations of electrochemical transport problems, it is usually tacitly assumed that lambda, the stability factor D-delta-t/delta-x2, should be set as high as possible. Here, accuracy contours are shown in (n(T), lambda) space, where n(T) is the number of finite difference steps per unit (dimensionless) time. Examples are the Cottrell experiment, simple chronopotentiometry and linear sweep voltammetry (LSV) on a reversible system. The simulation techniques examined include the standard explicit (point- and box-) methods as well as Runge-Kutta, Crank-Nicolson, hopscotch and Saul'yev. For the box method, the two-point current approximation appears to be the most appropriate. A rational algorithm for boundary concentrations with explicit LSV simulations is discussed. In general, the practice of choosing as high a lambda value when using the explicit techniques, is confirmed; there are practical limits in all cases.
引用
收藏
页码:20 / 41
页数:22
相关论文
共 18 条
[1]  
Bard A. J., 2001, ELECTROCHEMICAL METH, V2nd, P50
[2]   THE SAULYEV METHOD OF DIGITAL-SIMULATION UNDER DERIVATIVE BOUNDARY-CONDITIONS [J].
BRITZ, D ;
DASILVA, BM ;
AVACA, LA ;
GONZALEZ, ER .
ANALYTICA CHIMICA ACTA, 1990, 239 (01) :87-93
[4]   IMPLICIT CALCULATION OF BOUNDARY-VALUES IN DIGITAL-SIMULATION APPLIED TO SEVERAL TYPES OF ELECTROCHEMICAL EXPERIMENT [J].
BRITZ, D ;
HEINZE, J ;
MORTENSEN, J ;
STORZBACH, M .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1988, 240 (1-2) :27-43
[5]   ELECTROCHEMICAL DIGITAL-SIMULATION - REEVALUATION OF THE CRANK-NICOLSON SCHEME [J].
BRITZ, D ;
THOMSEN, K .
ANALYTICA CHIMICA ACTA, 1987, 194 :317-322
[7]  
BRITZ D, 1980, ANAL CHIM ACTA, V122, P331
[8]  
BRITZ D, 1988, DIGITAL SIMULATION E
[9]   A practical method for numerical evaluation of solutions of partial differential equations of the heat-conduction type [J].
Crank, J ;
Nicolson, P .
ADVANCES IN COMPUTATIONAL MATHEMATICS, 1996, 6 (3-4) :207-226
[10]  
DASILVA BM, 1988, J ELECTROANAL CHEM, V250, P457