Modeling Electric Double-Layers Including Chemical Reaction Effects

Juan Manuel Paz-Garcia, Björn Johannesson, Lisbeth M. Ottosen, A.B. Ribeiro

Research output: Contribution to journalJournal articleResearchpeer-review

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 depends on the
bulk solution composition and concentration
Original languageEnglish
JournalElectrochimica Acta
Volume150
Pages (from-to)263–268
Number of pages17
ISSN0013-4686
DOIs
Publication statusPublished - 2014

Keywords

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

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