Ebook: Digital Simulation in Electrochemistry: Third Completely Revised and Extended Edition With Supplementary Electronic Material

The book shows how to numerically solve the parabolic partial differential equations (pdes) encountered in electroanalytical chemistry. It does this in a didactic manner, by first introducing the basic equations to be solved and some model systems as text cases, for which solutions exist. Then it treats basic numerical approximation for derivatives and techniques for the numerical solution of ordinary differential equations, from which the more complicated methods for pdes can be derived. The major implicit methods are described in detail, and the handling of homogeneous chemical reactions, including coupled and nonlinear cases, is detailed. More advanced techniques are presented briefly, as well as some commercially available program packages.

This third edition, still the only text on the subject, is structured more didactically then the previous editions. It brings the coverage of electrochemical digital simulation up to date, including many new techniques developed since the early 1990s. A number of example procedures and programs are made available as supplementary material in the online version of this book.

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This book deals in a simple manner with the numerical solution of parabolic partial differential (diffusion) equations as they appear in electroanalytical chemistry, but extends also to the more sophisticated and efficient techniques. Only a basic familiarity with mathematics is assumed. It is intended both as an elementary text for the beginner as well as a reference for the more experienced. It incorporates the newer methods such as orthogonal collocation, unequal intervals, hopscotch, Runge-Kutta integration of semidiscretised systems of equations, and implicit boundary value calculation, which is required for the Crank-Nicolson technique to be effective in this field, where derivative boundary conditions are the rule. This second edition has been updated extensively to take into account recent developments in the area. It also deals squarely with the problems resulting from homogenous chemical reactions. With the help of this book and its many programming examples, any electrochemist should be able to learn to use the technique quickly in its simpler forms and will hopefully be stimulated to learn about the more difficult methods later.