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linux-macos-windows

LiquidElectrolytes.jl

This package is a solver for generalized Poisson-Nernst-Planck models taking into account finite ion size, solvation and electroosmotic pressure based on formulations derived from first principles of nonequilibrium thermodymamics. It utilizes a thermodynamically consistent finite volume space discretization approach which uses the sum of the electrotstatic potential and the excess chemical potential as convective terms. It is realized on top of the solver kernel VoronoiFVM.jl for coupled nonlinear PDE systems which takes advantage of ForwardDiff.jl to generate the full linearization of the coupled nonlinear system as a basis for a robust Newton solver for the discrete nonlinear systems.

Parts of the package are still work in progress.

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Generalized Nernst-Planck-Poisson model for liquid electrolytes

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