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[01142] Thermodynamically Consistent Finite Volume Schemes for Electrolyte Simulations

  • Session Time & Room : 2E (Aug.22, 17:40-19:20) @E702
  • Type : Contributed Talk
  • Abstract : In order to account for finite ion sizes and solvation effects, the classical Nernst-Planck-Poisson system describing ion transport in electrolytes needs to be enhanced by cross-diffusion - like terms. For this situation, we present a space discretization scheme which adapts the classical Scharfetter-Gummel exponential fitting upwind flux for the Voronoi box finite volume method. Numerical examples use the Julia package VoronoiFVM.jl which takes advantage of automatic differentiation to handle the strong nonlinearities of the system.
  • Classification : 65M08, 65M12, 78A57, 65N08, 35Q81
  • Format : Talk at Waseda University
  • Author(s) :
    • Jürgen Fuhrmann (Weierstrass Institute for Applied Analysis and Stochastics)
    • Benoit Gaudeul (Univ. Paris Saclay)