Corrigendum to “Ion transfer across liquid–liquid interfaces from transition-state theory and stochastic molecular dynamics simulations” [JEC 590(2) (2006) 138–144

Abstract

We investigate the kinetics and dynamics of ion transfer across liquid–liquid interfaces. We calculate the potential 0022-0728/$ see front matter 2006 Elsevier B.V. All rights reserved. doi:10.1016/j.jelechem.2006.10.001 DOI of original article: 10.1016/j.jelechem.2006.02.032 * Corresponding author. E-mail address: wolfgang.schmickler@uni-ulm.de (W. Schmickler). of mean force (pmf) of ion transfer from Monte Carlo simulations of a lattice–gas model, assuming independent chemical and electrostatic contributions. The shape of the pmf justifies considering the transfer as activated. The kinetics are obtained from transition-state theory and independently from stochastic molecular dynamics simulations. Both methods yield consistent results, with straight Tafel plots and friction effects in line with Kramers’ theory, but stronger than for a diffusing particle. A higher friction makes barrier recrossing more likely.