Modeling and simulation of the electro-chemical behavior of chemically stimulated polyelectrolyte hydrogel layer composites

Abstract

Polyelectrolyte hydrogels are viscoelastic electroactive polymers which respond to external physical or chemical stimuli by a reversible volume phase transition. Novel fabrication methods allow the creation of hydrogel layer composites in which each layer shows a different sensitivity (e.g. to a different stimulus). This offers new opportunities, for example, in the design of new microsensors, microactuators and microfluidic devices as well as for high-selective membranes and target-specific drug delivery systems. Since only few research groups numerically investigated the transport mechanisms in hydrogel layer composites, a gap remains to describe the movement and transient distribution of ions inside the layer system. In this article, the multifield formulation is adopted to describe the transient distribution of ions in salt-sensitive hydrogel layer composites on the basis of a numerical simulation. For this, the Nernst-Planck and the Poisson equation are solved using one-dimensional finite elements for both anionic-anionic and anionic-cationic gel layer composites under chemical stimulation. Between adjacent gels, an additional interlayer is introduced to account for the physical and chemical bonding region between the gels. Adaptive mesh refinement provides a good resolution close to the interface between the adjacent gel layers. The obtained results are used to predict the osmotic pressure inside the gels and the dependent swelling of the gel layer composite. The excellent agreement of the obtained results with the Donnan equilibrium demonstrates the high potential of the method applied to predict the behavior of hydrogel layer composites.