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In this article, we derive a general form of local volume-averaging theory and apply it to a model of zinc-air conversion batteries. Volume-averaging techniques are frequently used for the macroscopic description of micro-porous electrodes. We extend the existing method by including reactions between different phases and time-dependent volume fractions of the solid phases as these are continuously dissolved and reconstructed during operation of conversion batteries. We find that the constraint of incompressibility for multi-component fluids causes numerical instabilities in simulations of zinc-air battery cells. Therefore, we develop a stable sequential semi-implicit algorithm which converges against the fully implicit solution. Our method reduces the coupling of the variables by splitting the system of equations and introducing an additional iteration step.
In this article, we derive and discuss a physics-based model for impedance spectroscopy of lithium batteries. Our model for electrochemical cells with planar electrodes takes into account the solid-electrolyte interphase (SEI) as porous surface film.
Synthetic turbulence models are a useful tool that provide realistic representations of turbulence, necessary to test theoretical results, to serve as background fields in some numerical simulations, and to test analysis tools. Models of 1D and 3D sy
Aqueous zinc-air batteries (ZABs) are a low-cost, safe, and sustainable technology for stationary energy storage. ZABs with pH-buffered near-neutral electrolytes have the potential for longer lifetime compared to traditional alkaline ZABs due to the
Implementing multicomponent diffusion models in reacting-flow simulations is computationally expensive due to the challenges involved in calculating diffusion coefficients. Instead, mixture-averaged diffusion treatments are typically used to avoid th
Quantum chemistry simulations of four industrially relevant molecules are reported. Dissociation curves and dipole moments are reported for lithium hydride (LiH), hydrogen sulfide (H2S), lithium hydrogen sulfide (LiSH) and lithium sulfide (Li2S). Her