Attaining exponential convergence for the flux error with second- and fourth-order accurate finite-difference equations. I. Presentation of the basic concept and application to a pure diffusion system

被引:62
作者
Rudolph, M [1 ]
机构
[1] Univ Jena, Fak Chem, D-07743 Jena, Germany
关键词
digital simulation; exponential convergence of the flux error; fourth-order accurate spatial discretization; solution of penta-diagonal matrix equations; separate effect of time and spatial discretization;
D O I
10.1002/jcc.20200
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
It is a well-known phenomenon called superconvergence in the mathematical literature that the error level of an integral quantity can be much smaller than the magnitude of the local errors involved in the computation of this quantity. When discretizing an integrated form of Fick's second law of diffusion the local errors reflect the accuracy of individual concentration points while the integral quantity has the physical meaning of the flux. This article demonstrates how an extraordinary fast exponential convergence towards zero can be achieved for the simulated flux error on the basis of finite-difference approximations that are only second-order (Box 2 method) or fourth-order (Box 4 method) accurate as far as the level of local errors is concerned. (c) 2005 Wiley Periodicals, Inc.
引用
收藏
页码:619 / 632
页数:14
相关论文
共 28 条
[1]   SPACE VARIABLES WELL FITTED FOR THE STUDY OF STEADY-STATE AND NEAR-STEADY-STATE DIFFUSION AT A MICRODISK [J].
AMATORE, CA ;
FOSSET, B .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1992, 328 (1-2) :21-32
[2]   A fourth-order accurate, numerov-type, three-point finite-difference discretization of electrochemical reaction-diffusion equations on nonuniform (exponentially expanding) spatial grids in one-dimensional space geometry [J].
Bieniasz, LK .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (12) :1515-1521
[3]   Improving the accuracy of the spatial discretization in finite-difference electrochemical kinetic simulations, by means of the extended numerov method [J].
Bieniasz, LK .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (08) :1075-1083
[4]   Use of the Numerov method to improve the accuracy of the spatial discretisation in finite-difference electrochemical kinetic simulations [J].
Bieniasz, LK .
COMPUTERS & CHEMISTRY, 2002, 26 (06) :633-644
[5]   Higher-order spatial discretisations in electrochemical digital simulations. Part 4. Discretisation on an arbitrarily spaced grid [J].
Britz, D ;
Strutwolf, J .
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2003, 27 (03) :327-337
[6]   Consistency proof of Feldberg's simple BDF start in electrochemical digital simulation [J].
Britz, D .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 2001, 515 (1-2) :1-7
[7]   Investigation of some starting protocols for BDF (FIRM) in electrochemical digital simulation [J].
Britz, D ;
Strutwolf, J ;
Thogersen, L .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 2001, 512 (1-2) :119-123
[8]   Time shift artifacts and start-up protocols with the BDF method in electrochemical digital simulation [J].
Britz, D .
COMPUTERS & CHEMISTRY, 1998, 22 (2-3) :237-243
[9]   High-order spatial discretisations in electrochemical digital simulation. 1. Combination with the BDF algorithm [J].
Britz, D ;
Strutwolf, J .
COMPUTERS & CHEMISTRY, 2000, 24 (06) :673-684
[10]  
Britz D., 1988, DIGITAL SIMULATION E