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- W4313596924 abstract "The development and improvement of flow-battery systems is challenging, since the involved processes couple phenomena of various scientific fields, such as electrochemistry, transport processes, and thermodynamics. Physics-based models and simulation software allow to obtain insights into the underlying processes, identify limiting factors and offer accelerated prototyping and optimisation of flow-battery systems. In this chapter, we first describe an engineer's approach to cell-scale models. We turn our attention to flow-battery lifespan issues and the application of robust, physics-based models in device lifetime forecasting. Capacity fade due to membrane characteristics, pumping losses, and cycling efficiencies are described mathematically. Contrasting with the practical approach we continue with a discussion of models based on equilibrium and nonequilibrium thermodynamics. This approach allows for a rigorous derivation and incorporation of nonideal electrolyte key metrics, such as chemical activity, as well as transport properties in concentrated electrolytes and transport through membranes. Finally, we consider the problem of formulating homogenized macroscopic porous electrode models. We discuss upscaling methods that enable the rigorous determination of effective macroscopic transport properties, such as the dispersion tensor or the effective reaction rate, which depend on the electrochemical interface phenomena and the pore-scale transport of the electrolyte. We stress the necessity to combine mathematical modelling and experimental validation. This facilitates the construction of reliable models that offer insight into the underlying phenomena, while capturing the most relevant physicochemical effects." @default.
- W4313596924 created "2023-01-06" @default.
- W4313596924 creator A5011572644 @default.
- W4313596924 creator A5040608391 @default.
- W4313596924 creator A5063753054 @default.
- W4313596924 creator A5064640244 @default.
- W4313596924 date "2023-01-06" @default.
- W4313596924 modified "2023-10-12" @default.
- W4313596924 title "Continuum Modelling and Simulation of Flow Batteries" @default.
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- W4313596924 doi "https://doi.org/10.1002/9783527832767.ch17" @default.
- W4313596924 hasPublicationYear "2023" @default.
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