LSV modelling of electrochemical systems through numerical inversion of Laplace transforms. I – The GS–LSV algorithm

Semi-analytical modelling of electrochemical reactions in the time domain generally requires prior knowledge of the inverse Laplace transform of the so-called mass-transfer function, M X( s) (with s being the variable of Laplace transform), which depends on the electrode geometry, the mass-transport...

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Vydáno v:Journal of electroanalytical chemistry (Lausanne, Switzerland) Ročník 614; číslo 1; s. 121 - 130
Hlavní autor: Montella, C.
Médium: Journal Article
Jazyk:angličtina
Vydáno: Amsterdam Elsevier B.V 15.03.2008
Elsevier Science
Témata:
Chemistry
Convolution
Electrochemistry
Exact sciences and technology
Gaver–Stehfest algorithm
General and physical chemistry
Modelling
Numerical inversion of Laplace transforms
Voltammetry
Voltammetry
Numerical inversion of Laplace transforms
Modelling
Gaver–Stehfest algorithm
Convolution
Theoretical study
Laplace transformation
Gaver-Stehfest algorithm
Mathematical model
Electrochemical reaction
Modeling
Mass transfer
ISSN:1572-6657, 1873-2569
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Popis
Shrnutí:Semi-analytical modelling of electrochemical reactions in the time domain generally requires prior knowledge of the inverse Laplace transform of the so-called mass-transfer function, M X( s) (with s being the variable of Laplace transform), which depends on the electrode geometry, the mass-transport process, the boundary conditions and the possible presence of coupled (homogeneous) chemical reactions. Oldham and co-workers have developed efficient convolution algorithms. Unfortunately, the semi-analytical approach becomes ineffective when the inverse transform of M X( s) cannot be derived analytically. Hence, a new approach of the dynamics of electrochemical systems is proposed in this work. The method is based on numerical inversion of Laplace transforms, and, more especially, on the Gaver–Stehfest inversion formula. The simple algorithm, proposed in this work, makes it possible to investigate a wide range of electrode geometry and chemical, electrochemical and one-dimensional mass-transport processes by potential-controlled techniques, and more especially linear scan and cyclic voltammetry (LSV and CV).
ISSN:1572-6657
1873-2569
DOI:10.1016/j.jelechem.2007.11.010