The talk will present the development and application of thermodynamically consistent finite volume methods for solving generalized Nernst-Planck-Poisson problems. An overview of the fundamental principles of Voronoi box-based finite volume methods will be provided, and key differences to finite element methods will be discussed. The presentation will focus on the implementation of electrolyte models that incorporate finite ion sizes and solvation effects. A key aspect of the approach will be ensuring thermodynamic consistency, particularly in the relationship between generalized Poisson-Nernst-Planck and generalized Poisson-Boltzmann formulations. Synergies with methods for semiconductor device simulation will be discussed. Further, it will be demonstrated how these methods can be coupled to Navier-Stokes equations. A Julia-based implementation using automatic differentiation techniques will be presented. The capabilities of the proposed methods will be illustrated through various numerical examples. Future perspectives and challenges in the field will be discussed.
Copyright. All Rights Reserved.
