A Reformulation of the Pseudo2D Battery Model Coupling Large Electrochemical-Mechanical Deformations at Particle and Electrode Levels

Mai, Weijie; Colclasure, Andrew; Smith, Kandler

doi:10.1149/2.0101908jes

Title: A Reformulation of the Pseudo2D Battery Model Coupling Large Electrochemical-Mechanical Deformations at Particle and Electrode Levels

Journal Article · 01 January 2019 · Journal of the Electrochemical Society

DOI: https://doi.org/10.1149/2.0101908jes · OSTI ID:1508204

^[1];

^[1]

National Renewable Energy Laboratory (NREL), Golden, CO (United States)

The Pseudo2D electrochemical reaction/transport battery model is consistently reformulated based on the finite strain theory to incorporate the coupled effects of large electrochemical-mechanical deformations at both particle and electrode levels. The active material volume change due to lithium insertion/extraction causes the electrode deformation and porosity variation. The porosity variation affects the mechanical properties of each component of the cell as well as the transport processes. Consecutively, the electrode deformation also affects porosity variation and the electrochemical processes (transport and equilibrium potential). Variables such as particle size and specific surface area are also simultaneous updated based on the approximated electrode deformation and porosity distributions. The model is applied to simulate the performance of a cell composed of Si anode and NMC532 cathode to study the effect of active material volume change on the cell performances. The simulation results show that during the charging process the porosity of each cell component experiences significant reduction due to the large expansion of Si particles. Also, a notable hydrostatic stress develops within the cell, which introduces an overpotential in addition to that caused by porosity reduction. The model is also employed to study the effects of charging rate, initial anode porosity, cell loading and fixture condition.

View Journal Article

Cite

Export

Save

Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1508204

Alternate ID(s):: OSTI ID: 1514838

Report Number(s):: NREL/JA-5400-73221

Journal Information:: Journal of the Electrochemical Society, Vol. 166, Issue 8; ISSN 0013-4651

Publisher:: The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 20 works

Citation information provided by
Web of Science

References (22)

A battery model that fully couples mechanics and electrochemistry at both particle and electrode levels by incorporation of particle interaction Wu, Bin; Lu, Wei Journal of Power Sources, Vol. 360 https://doi.org/10.1016/j.jpowsour.2017.05.115	journal	August 2017
A finite deformation stress-dependent chemical potential and its applications to lithium ion batteries Cui, Zhiwei; Gao, Feng; Qu, Jianmin Journal of the Mechanics and Physics of Solids, Vol. 60, Issue 7 https://doi.org/10.1016/j.jmps.2012.03.008	journal	July 2012
Effect of Porosity on the Capacity Fade of a Lithium-Ion Battery Sikha, Godfrey; Popov, Branko N.; White, Ralph E. Journal of The Electrochemical Society, Vol. 151, Issue 7 https://doi.org/10.1149/1.1759972	journal	January 2004
Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells Doyle, Marc Journal of The Electrochemical Society, Vol. 143, Issue 6 https://doi.org/10.1149/1.1836921	journal	January 1996
Simulation and Optimization of the Dual Lithium Ion Insertion Cell Fuller, Thomas F. Journal of The Electrochemical Society, Vol. 141, Issue 1 https://doi.org/10.1149/1.2054684	journal	January 1994
Colossal Reversible Volume Changes in Lithium Alloys Beaulieu, L. Y.; Eberman, K. W.; Turner, R. L. Electrochemical and Solid-State Letters, Vol. 4, Issue 9 https://doi.org/10.1149/1.1388178	journal	January 2001
Computational analysis of chemomechanical behaviors of composite electrodes in Li-ion batteries Xu, Rong; Scalco de Vasconcelos, Luize; Zhao, Kejie Journal of Materials Research, Vol. 31, Issue 18 https://doi.org/10.1557/jmr.2016.302	journal	August 2016
Modeling Volume Changes in Porous Electrodes Gomadam, Parthasarathy M.; Weidner, John W. Journal of The Electrochemical Society, Vol. 153, Issue 1 https://doi.org/10.1149/1.2136087	journal	January 2006
Modeling Battery Performance Due to Intercalation Driven Volume Change in Porous Electrodes Garrick, Taylor R.; Higa, Kenneth; Wu, Shao-Ling Journal of The Electrochemical Society, Vol. 164, Issue 11 https://doi.org/10.1149/2.0621711jes	journal	January 2017
Modeling Volume Change in Dual Insertion Electrodes Garrick, Taylor R.; Huang, Xinyu; Srinivasan, Venkat Journal of The Electrochemical Society, Vol. 164, Issue 11 https://doi.org/10.1149/2.0541711jes	journal	January 2017
A review of the electrochemical performance of alloy anodes for lithium-ion batteries Zhang, Wei-Jun Journal of Power Sources, Vol. 196, Issue 1 https://doi.org/10.1016/j.jpowsour.2010.07.020	journal	January 2011
Voltage hysteresis of lithium ion batteries caused by mechanical stress Lu, Bo; Song, Yicheng; Zhang, Qinglin Physical Chemistry Chemical Physics, Vol. 18, Issue 6 https://doi.org/10.1039/C5CP06179B	journal	January 2016
Volume, Pressure and Thickness Evolution of Li-Ion Pouch Cells with Silicon-Composite Negative Electrodes Louli, A. J.; Li, Jing; Trussler, S. Journal of The Electrochemical Society, Vol. 164, Issue 12 https://doi.org/10.1149/2.1691712jes	journal	January 2017
Stress generation and fracture in lithium insertion materials Christensen, John; Newman, John Journal of Solid State Electrochemistry, Vol. 10, Issue 5 https://doi.org/10.1007/s10008-006-0095-1	journal	March 2006
Large Plastic Deformation in High-Capacity Lithium-Ion Batteries Caused by Charge and Discharge: Large Plastic Deformation in Lithium-Ion Batteries Zhao, Kejie; Pharr, Matt; Cai, Shengqiang Journal of the American Ceramic Society, Vol. 94 https://doi.org/10.1111/j.1551-2916.2011.04432.x	journal	March 2011
A review on the key issues for lithium-ion battery management in electric vehicles Lu, Languang; Han, Xuebing; Li, Jianqiu Journal of Power Sources, Vol. 226, p. 272-288 https://doi.org/10.1016/j.jpowsour.2012.10.060	journal	March 2013
Analysis of a Lithium/Thionyl Chloride Battery under Moderate-Rate Discharge Jain, Mukul Journal of The Electrochemical Society, Vol. 146, Issue 11 https://doi.org/10.1149/1.1392587	journal	January 1999
Evolution of stress within a spherical insertion electrode particle under potentiostatic and galvanostatic operation Cheng, Yang-Tse; Verbrugge, Mark W. Journal of Power Sources, Vol. 190, Issue 2, p. 453-460 https://doi.org/10.1016/j.jpowsour.2009.01.021	journal	May 2009
Intercalation-Induced Stress and Heat Generation within Single Lithium-Ion Battery Cathode Particles Zhang, Xiangchun; Sastry, Ann Marie; Shyy, Wei Journal of The Electrochemical Society, Vol. 155, Issue 7 https://doi.org/10.1149/1.2926617	journal	January 2008
Investigation of the chemo-mechanical coupling in lithiation/delithiation of amorphous Si through simulations of Si thin films and Si nanospheres Wang, Miao; Xiao, Xinran Journal of Power Sources, Vol. 326 https://doi.org/10.1016/j.jpowsour.2016.07.011	journal	September 2016
Alloy Design for Lithium-Ion Battery Anodes Obrovac, M. N.; Christensen, Leif; Le, Dinh Ba Journal of The Electrochemical Society, Vol. 154, Issue 9, p. A849-A855 https://doi.org/10.1149/1.2752985	journal	January 2007
Modeling Battery Performance Due to Intercalation Driven Volume Change in Porous Electrodes Garrick, T. R.; Dai, Y.; Higa, K. ECS Transactions, Vol. 72, Issue 11 https://doi.org/10.1149/07211.0011ecst	journal	July 2016

Cited By (1)

Mechanistic Elucidation of Si Particle Morphology on Electrode Performance Verma, Ankit; Franco, Alejandro A.; Mukherjee, Partha P. Journal of The Electrochemical Society, Vol. 166, Issue 15 https://doi.org/10.1149/2.0961915jes	journal	January 2019