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Use of Mathematica software for theoretical analysis of linear sweep voltammograms

J. Mocak
Organization: Slovak University of Technology
A.M. Bond
Organization: Monash University
Journal / Anthology

Journal of Electroanalytical Chemistry
Year: 2004
Volume: 561
Page range: 191-202

Mathematica software enables highly accurate analytical solutions to be achieved for the current-potential response in linear sweep voltammetry using exponential infinite series for the cases of simple reversible charge transfer as well as catalytic reactions with reversible charge transfer. In these cases, the problems with divergence or slow convergence of the respective series can be overcome and a considerable gain both in accuracy of computation as well as augmenting the potential range can be achieved when using polylogarithm or Lerch functions. Easy tabulatory output and a very simple way of obtaining the current-potential graph are further advantages. Implementation of the numerical series summation method in Mathematica (command NSum) represents an alternative possibility, which enables the calculation of additional electrochemical mechanisms. However, the effectiveness of this more general approach is only moderate as exemplified for the case of catalytic reactions with irreversible charge transfer.

*Mathematica Technology > Kernel > Numerics
*Science > Biology
*Science > Physics > Electromagnetism

linear sweep voltammetry, infinite series, reversible charge transfer, catalytic mechanism, arbitrary precision arithmetic