A computational simulation of electromembrane extraction based on Poisson - Nernst - Planck equations

Abstract

Electromembrane extraction (EME) has attracted a great deal of interest in researchers because of its advantages. For analysis, design and optimization purposes, understanding the ion transport mechanisms in the organic supported liquid membrane (SLM) is of prominent importance, where the interplay between the passive diffusion and electric-driven mass transport across SLM affects the mass transfer. In present work, a 2D numerical simulation is developed to examine the mass transfer behavior and the analyte recovery in EME devices. The presented model is capable of describing the effect of different parameters on the recovery of the EME setup. Initial analyte concentration in the sample solution, SLM thickness, applied potential, permittivity, diffusion coefficient, and the reservoir pH within both the sample and acceptor, can be considered as process variables. Predicted results revealed that the most important factors playing key role in EME, are the analyte diffusivity, distribution coefficient of the analyte as well as the level of protonation in both the donor and acceptor solutions. The proposed model is helpful in predicting the mass transfer behavior of the EME process in practical applications.

Keywords: Computational model; Drug concentration; Electromembrane extraction; Finite element method; Nernst-Planck-Poisson equations.