Electrokinetics: insights from simulation on the microscopic scale

Benjamin Rotenberg (1) , Ignacio Pagonabarraga (2)

1 PECSA - Physicochimie des Electrolytes, Colloïdes et Sciences Analytiques
2 UB - Universitat de Barcelona

Electrokinetic effects, i.e. the coupled hydrodynamic and electric phenomena which occur near charged interfaces, constitute a challenge to theorists due to the variety of length and time scales involved. We discuss recent advances in the modelling of these phenomena, emphasizing the interplay between the molecular specificity and the collective induced flows that emerge. We discuss the complementary simulation methodologies that have been developed either to focus on the molecular aspects of electrokinetics or on their effective properties on larger scales, as well as the proposed hybrid schemes that can incorporate both aspects. We highlight the insights that molecular studies have brought on the nature of interfacial charges and their implications for kinetic phenomena in confined fluids and also discuss advances in a number of relevant contexts.

Mots clés: electrokinetic phenomena; charged interface; mesoscopic simulation; atomistic simulation; electrokinetics

Domaines: Physique [physics]

Benjamin Rotenberg, Ignacio Pagonabarraga. Electrokinetics: insights from simulation on the microscopic scale. Molecular Physics, 2013, 111 (7), pp.827 - 842. ⟨10.1080/00268976.2013.791731⟩. ⟨hal-01916530⟩