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    A gradient-robust well-balanced scheme for the compressible isothermal Stokes problem
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2019) Akbas, Mine; Gallouët, Thierry; Gaßmann, Almut; Linke, Alexander; Merdon, Christian
    A novel notion for constructing a well-balanced scheme --- a gradient-robust scheme --- is introduced and a showcase application for a steady compressible, isothermal Stokes equations is presented. Gradient-robustness means that arbitrary gradient fields in the momentum balance are well-balanced by the discrete pressure gradient --- if there is enough mass in the system to compensate the force. The scheme is asymptotic-preserving in the sense that it degenerates for low Mach numbers to a recent inf-sup stable and pressure-robust discretization for the incompressible Stokes equations. The convergence of the coupled FEM-FVM scheme for the nonlinear, isothermal Stokes equations is proved by compactness arguments. Numerical examples illustrate the numerical analysis, and show that the novel approach can lead to a dramatically increased accuracy in nearly-hydrostatic low Mach number flows. Numerical examples also suggest that a straight-forward extension to barotropic situations with nonlinear equations of state is feasible.
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    Inverse modeling of thin layer flow cells for detection of solubility, transport and reaction coefficients from experimental data
    (Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2015) Fuhrmann, Jürgen; Linke, Alexander; Merdon, Christian; Neumann, Felix; Streckenbach, Timo; Baltruschat, Helmut; Khodayari, Mehdi
    Thin layer flow cells are used in electrochemical research as experimental devices which allow to perform investigations of electrocatalytic surface reactions under controlled conditions using reasonably small electrolyte volumes. The paper introduces a general approach to simulate the complete cell using accurate numerical simulation of the coupled flow, transport and reaction processes in a flow cell. The approach is based on a mass conservative coupling of a divergence-free finite element method for fluid flow and a stable finite volume method for mass transport. It allows to perform stable and efficient forward simulations that comply with the physical bounds namely mass conservation and maximum principles for the involved species. In this context, several recent approaches to obtain divergence-free velocities from finite element simulations are discussed. In order to perform parameter identification, the forward simulation method is coupled to standard optimization tools. After an assessment of the inverse modeling approach using known real-istic data, first results of the identification of solubility and transport data for O2 dissolved in organic electrolytes are presented. A plausibility study for a more complex situation with surface reactions concludes the paper and shows possible extensions of the scope of the presented numerical tools.