Multiscale Modeling of Polymer Gels—Chemo-Electric Model versus Discrete Element Model

Abstract

Polyelectrolyte gels are a very attractive class of actuation materials with remarkable electronic and mechanical properties with a great similarity to biological contractile tissues. They consist of a polymer network with ionizable groups and a liquid phase with mobile ions. Absorption and delivery of solvent lead to a large change of volume. This mechanism can be triggered by chemical (change of salt concentration or pH of solution surrounding the gel), electrical, thermal or optical stimuli. Due to this capability, these gels can be used as actuators for technical applications, where large swelling and shrinkage is desired. In the present work chemically stimulated polymer gels in a solution bath are investigated. To adequately describe the different complicated phenomena occurring in these gels, they can be modeled on different scales. Therefore, models based on the statistical theory and porous media theory, as well as a coupled multi-field model and a discrete element formulation are derived and employed. A refinement of the different theories from global macroscopic to microscopic are presented in this paper: The statistical theory is a macroscopic theory capable of describing the global swelling or bending, e.g., of a gel film, while the general theory of porous media (TPM) is a macroscopic continuum theory which is based on the theory of mixtures extended by the concept of volume fractions. The TPM is a homogenized model, i.e., all geometrical and physical quantities can be seen as statistical averages of the real quantities. The presented chemo-electro-mechanical multi-field formulation is a mesoscopic theory. It is capable of giving the concentrations and the electric potential in the whole domain. Finally the (micromechanical) discrete element (DE) theory is employed. In this case, the continuum is represented by distributed particles with local interaction relations combined with balance equations for the chemical field. This method is predestined for problems involving large displacements and strains as well as discontinuities. In this paper, the coupled multi-field model and the discrete element model for chemical stimulation of a polymer gel film with and without domain deformation are employed. Based on these results, the presented formulations are compared and conclusions on their applicability in engineering practice are finally drawn.