EFFICIENCY OF ELECTROCHEMICAL KINETIC SIMULATIONS BY ORTHOGONAL COLLOCATION AND FINITE-DIFFERENCE METHODS - A COMPARISON

被引：10

作者：

BIENIASZ, LK ^{[1
]}

BRITZ, D ^{[1
]}

机构：

[1] AARHUS UNIV, INST CHEM, DK-8000 AARHUS, DENMARK

来源：

ACTA CHEMICA SCANDINAVICA | 1993年 / 47卷 / 08期

关键词：

D O I：

10.3891/acta.chem.scand.47-0757

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The efficiency and reliability of electrochemical kinetic simulations by orthogonal collocation and finite difference methods have been examined quantitatively in calculations, using typical examples of homogeneous reaction-diffusion kinetic problems. Orthogonal collocation has been found to be more efficient than finite difference methods, but a proper selection of the integrator for ordinary differential equations and a careful choice of method parameters is essential for this. On the other hand, finite difference methods seem more reliable in problems with discontinuous boundary conditions and homogeneous reactions, especially those of second order.

引用

页码：757 / 767

页数：11

共 51 条

[1]

Bard A. J., 2001, ELECTROCHEMICAL METH, V2nd, P50

[2] A METHOD-ORIENTED APPROACH TO THE FORMULATION OF ALGORITHMS FOR ELECTROCHEMICAL KINETIC SIMULATIONS [J].