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


    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
    Pages (from-to)263–268
    Number of pages17
    Publication statusPublished - 2014


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


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