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

Abstract

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 fixturemore » condition.« less

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
OSTI Identifier:
1508204
Alternate Identifier(s):
OSTI ID: 1514838
Report Number(s):
NREL/JA-5400-73221
Journal ID: ISSN 0013-4651
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Published Article
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 166; Journal Issue: 8; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 33 ADVANCED PROPULSION SYSTEMS; silicon anode; large deformation; porosity variation; multi-scale deformation coupling

Citation Formats

Mai, Weijie, Colclasure, Andrew, and Smith, Kandler. A Reformulation of the Pseudo2D Battery Model Coupling Large Electrochemical-Mechanical Deformations at Particle and Electrode Levels. United States: N. p., 2019. Web. doi:10.1149/2.0101908jes.
Mai, Weijie, Colclasure, Andrew, & Smith, Kandler. A Reformulation of the Pseudo2D Battery Model Coupling Large Electrochemical-Mechanical Deformations at Particle and Electrode Levels. United States. doi:10.1149/2.0101908jes.
Mai, Weijie, Colclasure, Andrew, and Smith, Kandler. Tue . "A Reformulation of the Pseudo2D Battery Model Coupling Large Electrochemical-Mechanical Deformations at Particle and Electrode Levels". United States. doi:10.1149/2.0101908jes.
@article{osti_1508204,
title = {A Reformulation of the Pseudo2D Battery Model Coupling Large Electrochemical-Mechanical Deformations at Particle and Electrode Levels},
author = {Mai, Weijie and Colclasure, Andrew and Smith, Kandler},
abstractNote = {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.},
doi = {10.1149/2.0101908jes},
journal = {Journal of the Electrochemical Society},
number = 8,
volume = 166,
place = {United States},
year = {2019},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1149/2.0101908jes

Figures / Tables:

Table I Table I: Values of the parameters used in the current model for all example problems unless stated otherwise.

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Works referenced in this record:

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.