A multiscale-compatible approach in modeling ionic transport in the electrolyte of (Lithium ion) batteries

Salvadori, Alberto; Grazioli, Davide; Geers, Mgd Marc; Danilov, Dmitri L.; Notten, Phl Peter

doi:10.1016/j.jpowsour.2015.05.114

Cited by 32 publications

(57 citation statements)

References 42 publications

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“…7 Guided by the numerical analyses in Refs. [1,2], where it was shown that concentration peaks amount to about 50% of the saturation limit, the modeling assumption is here taken that concentrations are sufficiently far from saturation to disregard energetic interactions in the solution yet not small enough to neglect the saturation contribution. The free energy thus reads:…”

Section: Constitutive Theorymentioning

confidence: 99%

“…7 The case of diluted (in the sense of [11]) solutions will be considered henceforth whereas other theories will be summarized in Appendices. 8 The role played by the non linear mobility tensor and by the free energy density at saturation in Fick's law (25) is further investigated in appendix C. 9 Boundary conditions (29a) and (29c) have been derived in Section 3.3 of [1].…”

Section: Governing Equations and Weak Formmentioning

confidence: 99%

“…The numerical analyses in Ref. [1] reveal that concentration peaks exceed 50% of the saturation limit. Concentrations are therefore too high to neglect the role of saturation but they are nevertheless sufficiently far from saturation to assume complete dissociation of the Li-salt.…”

Section: Introductionmentioning

confidence: 96%

“…Ionic species kinetics was recently considered in Ref. [1]. That paper presents a formulation based on: i) the mass continuity equation for the cations Li þ and anions X À , in terms of their concentrations c Li þ and c X À ; ii) Maxwell's equations, to model the evolution in time and space of the electric field, since ionic transport entails movement of mass as well as of charge.…”

Section: Introductionmentioning

confidence: 99%

“…[2], it turned out that ionic concentrations near the electrodes can be higher than half of the saturation limit in the electrolyte solution. Therefore the usual and widespread simplified form of the chemical Helmholtz free energy density due to mixing of the species 1 does not seem to be suitable for commercial Li-ion batteries. The significant role played by the saturation contribution in the Helmholtz free energy density is therefore investigated in detail in the present paper.…”

Section: Introductionmentioning

confidence: 99%

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On the role of saturation in modeling ionic transport in the electrolyte of (Lithium ion) batteries

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Section: Constitutive Theorymentioning

confidence: 99%

Section: Governing Equations and Weak Formmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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On the role of saturation in modeling ionic transport in the electrolyte of (Lithium ion) batteries

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Porous Electrode Modeling and its Applications to Li‐Ion Batteries

Chen

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et al. 2022

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Figure 12. a-c) Schematic representation of the electrode potential at electrode/electrolyte interfaces. [145] Red areas indicate the electrode region and blue the electrolyte region. a) The Butler-Volmer approach does not consider charges at the interface. b) More detailed representation of the electrode/ electrolyte interface, considering specifically adsorbed species (green area) and screening counter charges at the surface of the electrode (dark red) and in the electrolyte (dark blue). c) Reduced electrode/electrolyte interface considering the surface charge in the electrode and screening charge in the electrolyte. d) Typical examples of impedance spectra for a porous electrode with insertion-type reactions. [151] Impedance simulations of porous graphite electrodes in contact with electrolyte with e) various particle sizes and f) electrode porosities. [152] a-c) Reproduced with permission. [145]

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An efficient computational approach for three‐dimensional modeling and simulation of fibrous battery electrodes

Goudarzi

Grazioli

Simone

2022

Numerical Meth Engineering

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Fibrous electrodes are a promising alternative to conventional particle-based lithium-ion battery electrodes. In this contribution, we propose an efficient computational approach for the modeling and simulation of electrochemical phenomena taking place in fibrous electrodes during battery charge/discharge processes. Since each fiber is explicitly modeled by means of a dimensionally reduced embedded fiber model, the framework enables simulations in a three-dimensional setting with relatively modest discretization and computational requirements compared to simulations with fully resolved fiber discretizations. The approach is applied to electrodes with high volume fractions of high aspect ratio fibers. Various local and global quantities are analyzed and results are compared to those obtained with the standard finite element method and the pseudo-2D model.

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A multiscale-compatible approach in modeling ionic transport in the electrolyte of (Lithium ion) batteries

Cited by 32 publications

References 42 publications

On the role of saturation in modeling ionic transport in the electrolyte of (Lithium ion) batteries

On the role of saturation in modeling ionic transport in the electrolyte of (Lithium ion) batteries

Porous Electrode Modeling and its Applications to Li‐Ion Batteries

An efficient computational approach for three‐dimensional modeling and simulation of fibrous battery electrodes

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