Encyclopedia of Applied Electrochemistry

2014 Edition
| Editors: Gerhard Kreysa, Ken-ichiro Ota, Robert F. Savinell

Numerical Simulations in Electrochemistry

Reference work entry
First Online:
DOI: https://doi.org/10.1007/978-1-4419-6996-5_34
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Basic Aspects

Simulation is defined as the solution of mathematical equations (mathematical model) describing a particular physicochemical phenomenon (physical model), here in the electrochemical context. Numerical techniques are commonly involved, because in most cases the mathematical model cannot be solved in a closed form. Since, at present, numerical calculations are almost exclusively performed on digital computers, the term “digital simulation” is also common. Besides experimentation and theoretical description, numerical simulation has been qualified as a third means (“computer experiments”) of knowledge generation in science [1].

Electrochemical simulations typically concern phenomena on the levels of (A) complete systems (electrochemical cell including electrodes and electrolyte as well as possibly environment; see, e.g., [2, 3]), (B) transport and reaction close to the electrode [4], or (C) atoms, their bonds and interactions [5]. This essay will be concerned with...

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© Springer Science+Business Media New York 2014

Authors and Affiliations

  1. 1.Institut für Organische ChemieUniversität TübingenTübingenGermany