A stabilized finite element method for the numerical simulation of multi-ion transport in electrochemical systems

Bauer, G.; Gravemeier, V.; Wall, Wolfgang A.

doi:10.1016/j.cma.2012.02.003

Cited by 19 publications

(11 citation statements)

References 28 publications

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“…Mass transfer in an electrolytic solution requires a description of the motion of mobile ionic species Li + and X − which is due to diffusion, migration, and advection. Even though the latter contribution might be relevant for some electrochemical systems [60,61], especially under abuse or extreme conditions [62], advection is usually neglected in LIBs models.…”

Section: Macroscopic Models For Liquid Electrolytes and Separatorsmentioning

confidence: 99%

“…In Li-ion battery modeling literature, the double layer is generally assumed as infinitesimally narrow, with a few exceptions [123]. Local electroneutrality is generally assumed in the electrolyte and a discontinuity in the potential across the electrode/electrolyte boundary is allowed for (see among others [60,61,63,116,112]). Butler-Volmer equation [124,125,126] is used to relate the intercalation flux to the potential discontinuity between the electrode and the points in the solution immediately beyond the ideally narrow double layer [127,128,129,99,116].…”

Section: Microscopic Phenomena and Their Modelingmentioning

confidence: 99%

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Computational modeling of Li-ion batteries

2016

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This review focuses on energy storage materials modeling, with particular emphasis on Li-ion batteries. Theoretical and computational analyses not only provide a better understanding of the intimate behavior of actual batteries under operational and extreme conditions, but they may tailor new materials and shape new architectures in a complementary way to experimental approaches. Modeling can therefore play a very valuable role in the design and lifetime prediction of energy storage materials and devices. Batteries are inherently multi-scale, in space and time. The macro-structural characteristic lengths (the thickness of a single cell, for instance) are order of magnitudes larger than the particles that form the microstructure of the porous electrodes, which in turn are scale-separated from interface layers at which atomistic intercalations occur. Multi-physics modeling concepts, methodologies, and simulations at different scales, as well as scale transition strategies proposed in the recent literature are here revised. Finally, computational challenges toward the next generation of Li-ion batteries are discussed.

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Section: Macroscopic Models For Liquid Electrolytes and Separatorsmentioning

confidence: 99%

Section: Microscopic Phenomena and Their Modelingmentioning

confidence: 99%

Computational modeling of Li-ion batteries

2016

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“…The model in Ref. [8] was an extension of an earlier one that considered only forced convection and was proposed by the same group [9]. Our group has also conducted research on this subject -we studied the effect of natural convection on fully supported chronoamperometry at horizontal disc-shaped electrodes of radius ~1 mm using eqs.…”

Section: Solute-driven Natural Convectionmentioning

confidence: 99%

Natural convection effects in electrochemical systems

Novev

Compton

2018

Current Opinion in Electrochemistry

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This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Highlights Recent work on natural convection in electrochemistry is reviewed.  Experimental and theoretical/simulation studies in the area are considered.  Free convection driven by concentration and/or temperature gradients is discussed.  Natural convection in systems such as electrorefining and fuel cells is covered.  A critical assessment of the concept of 'spontaneous convection' is given.

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“…In Li-ion battery modeling literature, a specific description of the double layer is generally disregarded with a few exceptions (e.g., Bazant et al, 2005;Marcicki et al, 2014), local electroneutrality is assumed throughout the electrolyte and a discontinuity in the elctrostatic potential across the electrode/electrolyte boundary is allowed for (see, among others, Danilov and Notten, 2008;Bauer et al, 2011Bauer et al, , 2012Purkayastha and McMeeking, 2012;Renganathan et al, 2010). The electric double layer is thus assumed as infinitesimally narrow, allowing for a distribution of a charge layer in the electrolytic solution equal and opposite to the charge layer on the surface of the electrode.…”

Section: Interface Reactionmentioning

confidence: 99%