Introducing a novel numerical model for describing the electrical potential in electrolyte solutions

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Authors: D.E.A. van den Eertwegh, A. Pari, E.A.J.F. Peters, J. A M Kuipers, Maike W. Baltussen
Cited by: 1
References: 20

Abstract

• New numerical model developed for electrical potential in electrolyte solutions. • The new numerical model can resolve multiple length- and time-scales. • It numerically switches between the Poisson and the electroneutrality equations. • Multiple systems were studied, including a multi-ion multi-valent system. • The new numerical model can produce accurate results for varying systems. The transport of ions is governed by a species conservation equation and the Nernst-Planck flux expression. The latter requires information on the electrical potential, for which an additional transport equation is required. Traditional numerical approaches, such as solving the Poisson equation or applying the electroneutrality condition, face limitations in their applicability. In this work, a new numerical model is introduced for the electrical potential that effectively functions as a numerical switch between the Poisson equation and the electroneutrality condition. This model is tested for three different scenarios: a small-scale system where charge separation is expected in a large part of the domain, a large-scale system where charge separation is significantly less important, and a multi-ion liquid junction system. This new numerical model is capable of producing accurate results for all the tested systems.

Fields of Study & Subjects

Membrane-based Ion Separation Techniques Chemical and Physical Properties in Aqueous Solutions Electrostatics and Colloid Interactions

Publication details

Journal / source
Chemical Engineering Science
Publisher
Elsevier BV
Volume
324
Pages
123318–123318
Publication date
12 January 2026
Language
EN