A kinetic model of a polyelectrolyte gel undergoing phase separation
arXiv:2105.13689 · doi:10.1016/j.jmps.2021.104771
Abstract
In this study we use non-equilibrium thermodynamics to systematically derive a phase-field model of a polyelectrolyte gel coupled to a hydrodynamic model for a salt solution surrounding the gel. The governing equations for the gel account for the free energy of the internal interfaces which form upon phase separation, the nonlinear elasticity of the polyelectrolyte network, and multi-component diffusive transport following a Stefan--Maxwell approach. The time-dependent model describes the evolution of the gel across multiple time and spatial scales and so is able to capture the large-scale solvent flux and the emergence of long-time pattern formation in the system. We explore the model for the case of a constrained gel undergoing uni-axial deformations. Numerical simulations show that rapid changes in the gel volume occur once the volume phase transition sets in, as well as the triggering of spinodal decomposition that leads to strong inhomogeneities in the lateral stresses, potentially leading to experimentally visible patterns.
References in corpus (7)
- Elastic ripening and inhibition of liquid-liquid phase separation
- Theory of phase separation and polarization for dissociated ionic liquids
- Elastic stresses reverse Ostwald ripening
- Extreme thermodynamics with polymer gel tori: harnessing thermodynamic instabilities to induce large-scale deformations
- The dynamics of a collapsing polyelectrolyte gel
- On the structure of continuum thermodynamical diffusion fluxes -- A novel closure scheme and its relation to the Maxwell-Stefan and the Fick-Onsager approach
- The electric double layer at the interface between a polyelectrolyte gel and salt bath