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Attaining exponential convergence for the flux error with second‐ and fourth‐order accurate finite‐difference equations. Part 3. Application to electrochemical systems comprising second‐order chemical reactions
Author(s) -
Rudolph Manfred
Publication year - 2005
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.20256
Subject(s) - convergence (economics) , exponential function , mathematics , flux (metallurgy) , diffusion , reaction–diffusion system , mathematical analysis , chemistry , physics , thermodynamics , organic chemistry , economics , economic growth
This article demonstrates that exponential convergence of the flux error can be attained with second‐ and fourth‐order accurate finite difference equations even for such electrochemical kinetic‐diffusion systems where difficult‐to‐resolve solution structures occur on account of fast second‐order chemical reactions. Thus, as far as the flux is concerned, the simulation of some example models treated in the literature by means of more sophisticated adaptive grid techniques turns out to be as straightforward as the simulation of a simple system under diffusion control. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 1193–1204, 2005