USE OF DYNAMICALLY ADAPTIVE-GRID TECHNIQUES FOR THE SOLUTION OF ELECTROCHEMICAL KINETIC-EQUATIONS .4. THE ADAPTIVE MOVING-GRID SOLUTION OF ONE-DIMENSIONAL FAST HOMOGENEOUS REACTION-DIFFUSION PROBLEMS WITH EXTREMELY THIN REACTION ZONES AWAY FROM THE ELECTRODES

被引:21
作者
BIENIASZ, LK
机构
[1] Kemisk Institut, Aarhus Universitet, 8000 Aarhus C
关键词
ADAPTIVE GRID TECHNIQUES; ELECTROCHEMICAL KINETIC EQUATIONS; REACTION-DIFFUSION SYSTEMS;
D O I
10.1016/0022-0728(94)87126-4
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The adaptive moving-grid strategy suggested in Parts 1-3 for the solution of electrochemical kinetic partial differential equations in one space dimension has been subject to further evaluation and tuning. The strategy has been applied to two kinetic examples of fast homogeneous reaction-diffusion systems involving extremely thin moving reaction zones away from the electrodes. One example, the simulation of the double-potential step transient for a simple mechanism of electrogenerated chemiluminescence, has been considered in much detail. As the second example the simulation of the linear potential scan voltammetry for a double-electron transfer with ''nuances'' has been briefly discussed. The adaptive grid strategy provides effective, satisfactorily accurate and complete solutions to these difficult problems, which would not be possible to obtain by traditional fixed-grid finite difference methods, except at much higher computational cost or with radical simplifications.
引用
收藏
页码:71 / 87
页数:17
相关论文
共 43 条
[1]   NUANCES OF ECE MECHANISM .2. ADDITION HYDROCHLORIC ACID AND AMINES TO ELECTROCHEMICALLY GENERATED O-BENZOQUINONES [J].
ADAMS, RN ;
HAWLEY, MD ;
FELDBERG, SN .
JOURNAL OF PHYSICAL CHEMISTRY, 1967, 71 (04) :851-&
[2]   REACTIONS OCCURRING DURING MIXING - BASIC REACTION SCHEMES AND EXAMPLES IN SOLVATED ELECTRON REDUCTIONS [J].
ANDRIEUX, CP ;
SAVEANT, JM .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (41) :10879-10888
[3]  
ANDRIEUX CP, 1986, INVESTIGATION RATE 2, V6, P305
[4]  
Bard A. J., 2001, ELECTROCHEMICAL METH, V2nd, P50
[5]   ELSIM - A USER-FRIENDLY PC PROGRAM FOR ELECTROCHEMICAL KINETIC SIMULATIONS - VERSION-1.0 - SOLUTION OF INTEGRAL-EQUATIONS FOR LINEAR SCAN AND CYCLIC VOLTAMMETRY [J].
BIENIASZ, LK .
COMPUTERS & CHEMISTRY, 1992, 16 (01) :11-14
[8]   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 [J].
BIENIASZ, LK .
COMPUTERS & CHEMISTRY, 1993, 17 (04) :355-368
[9]   USE OF DYNAMICALLY ADAPTIVE-GRID TECHNIQUES FOR THE SOLUTION OF ELECTROCHEMICAL KINETIC-EQUATIONS .3. AN ADAPTIVE MOVING GRID ADAPTIVE TIME-STEP STRATEGY FOR PROBLEMS WITH DISCONTINUOUS BOUNDARY-CONDITIONS AT THE ELECTRODES [J].
BIENIASZ, LK .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1994, 374 (1-2) :23-35
[10]   A METHOD-ORIENTED APPROACH TO THE FORMULATION OF ALGORITHMS FOR ELECTROCHEMICAL KINETIC SIMULATIONS [J].
BIENIASZ, LK .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1992, 340 (1-2) :19-34