Modeling of electric double-layers including chemical reaction effects

J. M. Paz-Garcia, B. Johannesson, L. M. Ottosen, A. B. Ribeiro, J. M. Rodriguez-Maroto

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

A physicochemical and numerical model for the transient formation of an electric double-layer between an electrolyte and a chemically-active flat surface is presented, based on a finite elements integration of the nonlinear Nernst-Planck-Poisson model including chemical reactions. The model works for symmetric and asymmetric multi-species electrolytes and is not limited to a range of surface potentials. Numerical simulations are presented, for the case of a CaCO3 electrolyte solution in contact with a surface with rate-controlled protonation/deprotonation reactions. The surface charge and potential are determined by the surface reactions, and therefore they depend on the bulk solution composition and concentration.

Original languageEnglish
Pages (from-to)263-268
Number of pages6
JournalElectrochimica Acta
Volume150
DOIs
Publication statusPublished - 20 Dec 2014

Keywords

  • Electric double-layer
  • Finite element analysis
  • Gouy-Chapman
  • Nernst-Planck-Poisson
  • Reactive-transport modeling
  • Surface complexation

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