Digital Simulation in Electrochemistry

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This book explains how the partial differential equations (pdes) in electroanalytical chemistry can be solved numerically. It guides the reader through the topic in a very didactic way, by first introducing and discussing the basic equations along with some model systems as test cases systematically. Then it outlines basic numerical approximations for derivatives and techniques for the numerical solution of ordinary differential equations. Finally, more complicated methods for approaching the pdes are derived.

The authors describe major implicit methods in detail and show how to handle homogeneous chemical reactions, even including coupled and nonlinear cases. On this basis, more advanced techniques are briefly sketched and some of the commercially available programs are discussed. In this way the reader is systematically guided and can learn the tools for approaching his own electrochemical simulation problems.

This new fourth edition has been carefully revised, updated and extended compared to the previous edition (Lecture Notes in Physics Vol. 666). It contains new material describing migration effects, as well as arrays of ultramicroelectrodes. It is thus the most comprehensive and didactic introduction to the topic of electrochemical simulation.

Author(s): Dieter Britz, Jörg Strutwolf (auth.)
Series: Monographs in Electrochemistry
Edition: 4
Publisher: Springer International Publishing
Year: 2016

Language: English
Pages: XV, 492
Tags: Electrochemistry; Analytical Chemistry; Theoretical and Computational Chemistry; Math. Applications in Chemistry; Computer Applications in Chemistry

Front Matter....Pages i-xv
Introduction....Pages 1-4
Basic Equations....Pages 5-37
Approximations to Derivatives....Pages 39-59
Ordinary Differential Equations....Pages 61-87
The Explicit Method....Pages 89-100
Boundary Conditions....Pages 101-121
Unequal Intervals....Pages 123-144
The Commonly Used Implicit Methods....Pages 145-176
Other Methods....Pages 177-234
Adsorption....Pages 235-240
Effects Due to Uncompensated Resistance and Capacitance....Pages 241-249
Two (and Three) Dimensions....Pages 251-337
Migrational Effects....Pages 339-367
Convection....Pages 369-388
Performance....Pages 389-420
Programming....Pages 421-425
Simulation Packages....Pages 427-438
Back Matter....Pages 439-492