Simulating the Impact of Particle Size Distribution on the Performance of Graphite Electrodes in Lithium-Ion Batteries. Röder, F., Sonntag, S., Schröder, D., & Krewer, U. Energy Technology, 4(12):1588–1597, 2016.
Simulating the Impact of Particle Size Distribution on the Performance of Graphite Electrodes in Lithium-Ion Batteries [link]Paper  doi  abstract   bibtex   
In this work we present a fundamental model-based analysis of the effect of active material particle size distribution (PSD) on graphite electrodes and their performance. We fo- cused on the determination of the impact of differently shaped and scaled PSDs on the electrode performance, which is mainly influenced by the performance of the indi- vidual particles and their interaction. A mathematical elec- trode model with a distributed particle size is used for analy- sis to identify the different local current densities and the charging behavior of the particles. The heterogeneity pro- vokes uneven surface overpotentials and reaction rates. Their identification facilitates the investigation of the degra- dation of such heterogeneous systems. In addition, we pres- ent an approach that accounts for the change of a PSD be- cause of the restructuring of the electrode morphology during battery usage into the mathematical model and identi- fy the general impact of particle cracking and agglomeration on the battery performance. Moreover, the importance of PSD in Li-ion batteries is shown by comparing the results obtained with a single particle model used commonly. This comparison shows that in case of narrow distributions sur- face-area- and volume-based mean approximations are suffi- cient to predict overpotentials and electrode capacity if ki- netic losses are dominated either by reaction at the surface or diffusion processes, respectively. This work indicates that the PSD and its change impact the performance and degra- dation of Li-ion batteries considerably. We suggest that the PSD and its evolution should be of particular interest in the study of the degradation of particle-based electrodes.
@article{roder_simulating_2016,
	title = {Simulating the {Impact} of {Particle} {Size} {Distribution} on the {Performance} of {Graphite} {Electrodes} in {Lithium}-{Ion} {Batteries}},
	volume = {4},
	copyright = {All rights reserved},
	issn = {21944296},
	url = {http://doi.wiley.com/10.1002/ente.201600232},
	doi = {10.1002/ente.201600232},
	abstract = {In this work we present a fundamental model-based analysis of the effect of active material particle size distribution (PSD) on graphite electrodes and their performance. We fo- cused on the determination of the impact of differently shaped and scaled PSDs on the electrode performance, which is mainly influenced by the performance of the indi- vidual particles and their interaction. A mathematical elec- trode model with a distributed particle size is used for analy- sis to identify the different local current densities and the charging behavior of the particles. The heterogeneity pro- vokes uneven surface overpotentials and reaction rates. Their identification facilitates the investigation of the degra- dation of such heterogeneous systems. In addition, we pres- ent an approach that accounts for the change of a PSD be- cause of the restructuring of the electrode morphology during battery usage into the mathematical model and identi- fy the general impact of particle cracking and agglomeration on the battery performance. Moreover, the importance of PSD in Li-ion batteries is shown by comparing the results obtained with a single particle model used commonly. This comparison shows that in case of narrow distributions sur- face-area- and volume-based mean approximations are suffi- cient to predict overpotentials and electrode capacity if ki- netic losses are dominated either by reaction at the surface or diffusion processes, respectively. This work indicates that the PSD and its change impact the performance and degra- dation of Li-ion batteries considerably. We suggest that the PSD and its evolution should be of particular interest in the study of the degradation of particle-based electrodes.},
	number = {12},
	journal = {Energy Technology},
	author = {Röder, Fridolin and Sonntag, Sören and Schröder, Daniel and Krewer, Ulrike},
	year = {2016},
	keywords = {batteries, electrochemistry, electrodes, graphite, particle size distribution{\textbackslash}textbackslashtextbackslashtextless},
	pages = {1588--1597},
}

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