A comparative study of mass transport models for computational electrochemistry

Steven Van Damme, Johan Deconinck

Research output: Chapter in Book/Report/Conference proceedingMeeting abstract (Book)

Abstract

A comparative study of mass transport models for computational electrochemistry
S. Van Damme*, J. Deconinck
Computational Electrochemistry Group, ETEC, Faculty of Engineering,
Vrije Universiteit Brussel, Pleinlaan 2, 1040 Brussels
*Corresponding author: steven.van.damme@vub.ac.be

Computational electrochemistry deals with the computation of the current and potential distribution in electrolyte solutions for electroanalytical chemistry [1] and industrial reactor design [2,3]. In many systems the current distribution is influenced by mass transport, which is nowadays modeled by the transport laws for ideal solutions. Sometimes, the limiting diffusion constants are replaced by apparent diffusion constants, such that the conductivity matches the experimental value. However, this procedure does not capture all the consequences of the non-ideality of electrolyte solutions.
The mean spherical approximation (MSA) provides a means to calculate the thermodynamic and transport properties of electrolyte solutions up to a total ion concentration of about 2M. Analytical expressions for the ion activity coefficients [4], the electrophoretic effect on the Onsager coefficients [5] and the relaxation effect on the Onsager coefficients [6] have recently been derived.
The linear phenomenological laws of irreversible thermodynamics supplemented with the MSA expressions constitute a new mass transport model for computational electrochemistry. A comparative study is necessary to determine the benefits of the new model over the ideal model. This will be carried out theoretically for different hypothetical electrochemical systems and experimentally for the copper deposition from aqueous CuSO4 solutions.

[1] L. Pauwels, A. Hubin, B. Van Den Bossche, L. Bortels, J. Deconinck Electrochim. Acta 51 (2006) 1505.
[2] S. Goldbach, B. Van Den Bossche, T. Daenen, J. Deconinck, F. Lapicque, J. Appl. Electrochem. 30 (2000) 1.
[3] B. Van Den Bossche, G. Floridor, J. Deconinck, P. Van Den Winkel, A. Hubin, J. Electroanal. Chem. 531 (2002) 61.
[4] J.-P. Simonin, L. Blum, P. Turq J. Phys. Chem. 100 (1996) 7704.
[5] J.-F. Dufrêche, O. Bernard, P. Turq J. Chem. Phys. 116 (2002) 2085.
[6] S. Van Damme, J. Deconinck J. Phys. Chem. B 111 (2007) 5308.
Original languageEnglish
Title of host publicationThe 59th Annual Meeting of the International Society of Electrochemistry
Publication statusPublished - 12 Sep 2008
EventFinds and Results from the Swedish Cyprus Expedition: A Gender Perspective at the Medelhavsmuseet - Stockholm, Sweden
Duration: 21 Sep 200925 Sep 2009

Conference

ConferenceFinds and Results from the Swedish Cyprus Expedition: A Gender Perspective at the Medelhavsmuseet
CountrySweden
CityStockholm
Period21/09/0925/09/09

Keywords

  • ion transport
  • mean spherical approximation

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