Numerical simulation of lithium-ion battery performance considering electrode microstructure

Kespe, Michael; Nirschl, Hermann

doi:10.1002/er.3459

Cited by 31 publications

(37 citation statements)

References 41 publications

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“…As experimentally shown by Bauer et al and in accordance to numerical results of a previous contribution, the influence of the electrode structure on the macroscopic performance is more pronounced for uncalendered electrodes. For this reason, in this contribution, only uncompressed electrodes are considered, whose porosity values (see Table ) are in agreement with published values of uncalendered electrodes .…”

Section: Electrode Structuressupporting

confidence: 89%

“…As shown in a previous publication, the size of the active material particles is related to the macroscopic performance of a half‐cell. In order to ensure the comparability of the investigated mixed material electrodes, the particle sizes of the considered active materials are subject to a monomodal distribution with a small spread.…”

Section: Electrode Structuresmentioning

confidence: 64%

“…[18][19][20] In previous studies, such a model was implemented within the open source simulation platform OpenFOAM of version 2.2.2 and applied to the investigation of the influence of different 3D electrode structures on the half-cell performance. 21 In another study, this model was used to spatially optimize the conductivity distribution of a given particulate electrode structure. 22 In this contribution, the mentioned model is further extended to cover blended electrodes, which, according to the literature, represents a novelty in lithium-ion battery research.…”

Section: Discussionmentioning

confidence: 99%

“…To overcome this drawback, three‐dimensional electrochemical models, covering the charge and species transport within fully resolved lithium‐ion batteries, have been developed in the past . In previous studies, such a model was implemented within the open source simulation platform OpenFOAM of version 2.2.2 and applied to the investigation of the influence of different 3D electrode structures on the half‐cell performance . In another study, this model was used to spatially optimize the conductivity distribution of a given particulate electrode structure .…”

Section: Introductionmentioning

confidence: 99%

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Three‐dimensional simulation of transport processes within blended electrodes on the particle scale

et al. 2019

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Summary An electrochemical model that is capable to simulate charge and species transport within the three‐dimensional particulate cathode structure of lithium‐ion battery half‐cells is applied to blended electrodes. The electrodes are assumed to consist of physical mixtures of LiMn2O4 (LMO) and Li[Ni1/3Co1/3Mn1/3]O2 (NMC) as cathode active materials. The results of the numerical simulations reveal that there is a significant temporal variation in the distribution of the intercalation current between the active materials on the particulate level. In this context, the LMO component was found to be electrochemically inactive at the beginning and at the end of a simulated discharge process that leads to the identification of a suitable operating window of the half‐cells between 0.2 < DOD < 0.8. It is shown that within this range, a relaxation of the maximum lithium concentration gradients within the NMC component is achievable. As this provides indications of reduced mechanical stresses within the active material particles, an increased cycling stability of this kind of blended electrodes is expectable. Because of the NMC component's higher volumetric capacity compared with LMO, the separator‐near arrangement of NMC allows the magnitude of ionic current density to be reduced by up to 11% compared with a random particle arrangement. As this indicates a reduction of potential temperature‐induced side reactions of the electrolyte, an increased cycle life of the half‐cells, especially for high‐performance applications, is anticipated. Consequently, multiple‐layer coating processes appear particularly attractive for the production of optimized blended positive electrodes for lithium‐ion batteries.

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Section: Electrode Structuressupporting

confidence: 89%

Section: Electrode Structuresmentioning

confidence: 64%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Three‐dimensional simulation of transport processes within blended electrodes on the particle scale

et al. 2019

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“…On the other hand, it is numerically costly, as the small scale of carbon black aggregates, which typically consist of colloidal particles with a primary particle size below 100 nm, results in a huge number of mesh elements needed for spatial discretization. In this contribution, an existing electrode model was modified such that certain regions within the solid electrode's subdomain could be defined as electrochemically inactive. Therefore, within these inert material regions, the subgrid‐scale structure of the conductive additive is represented by varying local effective transport properties.…”

Section: Three‐dimensional Model On the Microscalementioning

confidence: 99%

Numerical optimization of the spatial conductivity distribution within cathode microstructures of lithium-ion batteries considering the cell performance

et al. 2017

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Summary A numerical approach targeting the optimization of the spatial conductivity distribution within a three‐dimensional electrode microstructure of lithium‐ion batteries is presented. Its methodology is based on a spatially resolved three‐dimensional electrochemical model of a lithium‐ion battery half cell on the particle scale. Although being independent of the underlying electrode microstructure, the method is exemplarily applied on a computer‐generated periodic electrode structure consisting of smooth spherical particles. In the first step, parameter variations are performed to investigate the influence of the electrical conductivity on the simulated half‐cell performance. The simulations show that the performance‐limiting effect of low electrical conductivity values can be attributed to a through‐plane directed inhomogeneity of the local intercalation flux density. Furthermore, it is shown that if a homogenous surface intercalation flux density is reached, a further increase of the spatially uniform conductivity would not result in better half‐cell performance. In the second step, the determined optimum spatially uniform conductivity value is taken as a basis for the spatial optimization approach. The resulting conductive structure within the electrode shows gradient‐like behavior directed perpendicular to the electrode surface, while highest conductivity values are to be expected in the region close to the current collector. Therefore, multiple layer coating is suggested as a suitable practical manufacturing approach. Due to the proposed two‐stage optimization approach, the resulting conductive structure reveals conductivity saving potential without altering the macroscopic cell performance.

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Pore‐scale Modeling of Flow Batteries

2023

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Numerical simulation of lithium-ion battery performance considering electrode microstructure

Cited by 31 publications

References 41 publications

Three‐dimensional simulation of transport processes within blended electrodes on the particle scale

Three‐dimensional simulation of transport processes within blended electrodes on the particle scale

Numerical optimization of the spatial conductivity distribution within cathode microstructures of lithium-ion batteries considering the cell performance

Pore‐scale Modeling of Flow Batteries

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