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Issue 8, 2015
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Testing and validating electroanalytical simulations

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Abstract

Digital simulations are a commonly used tool in electrochemical and electroanalytical research. However, even though the employed computational methods often feature significant complexity, testing routines are rarely specified or discussed in literature. In this work, we address this topic and describe approaches towards testing electrochemical simulation software. While focussing on simple systems featuring Nernstian reactions in 1 : 1 stoichiometries, we guide through rigorous testing processes of one- and two dimensional simulations with regard to applications in cyclic voltammetry. To this end, we compile expressions for the calculation of key values as references, discuss the conduction of convergence studies, and suggest approaches to automated software testing.

Graphical abstract: Testing and validating electroanalytical simulations

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Publication details

The article was received on 11 Dec 2014, accepted on 28 Jan 2015 and first published on 29 Jan 2015


Article type: Tutorial Review
DOI: 10.1039/C4AN02276A
Citation: Analyst, 2015,140, 2592-2598
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    Testing and validating electroanalytical simulations

    E. Kätelhön and R. G. Compton, Analyst, 2015, 140, 2592
    DOI: 10.1039/C4AN02276A

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