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Title: A Thermodynamic Reassessment of Lithium-Ion Battery Cathode Calorimetry

Abstract

This work demonstrates how staged heat release from layered metal oxide cathodes in the presence of organic electrolytes can be predicted from basic thermodynamic properties. These prediction methods for heat release are an advancement compared to typical modeling approaches for thermal runaway in lithium-ion batteries, which tend to rely exclusively on calorimetry measurements of battery components. These calculations generate useful new insights when compared to calorimetry measurements for lithium cobalt oxide (LCO) as well as the most common varieties of nickel manganese cobalt oxide (NMC) and nickel cobalt aluminum oxide (NCA). Accurate trends in heat release with varying state of charge are predicted for all of these cathode materials. These results suggest that thermodynamic calculations utilizing a recently published database of properties are broadly applicable for predicting decomposition behavior of layered metal oxide cathodes. Aspects of literature calorimetry measurements relevant to thermal runaway modeling are identified and classified as thermodynamic or kinetic effects. The calorimetry measurements reviewed in this work will be useful for development of a new generation of thermal runaway models targeting applications where accurate maximum cell temperatures are required to predict cascading cell-to-cell propagation rates.

Authors:
ORCiD logo
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE Office of Electricity (OE)
OSTI Identifier:
1730954
Alternate Identifier(s):
OSTI ID: 1721613
Report Number(s):
SAND-2020-12345J
Journal ID: ISSN 1945-7111
Grant/Contract Number:  
AC04-94AL85000; NA0003525
Resource Type:
Published Article
Journal Name:
Journal of the Electrochemical Society (Online)
Additional Journal Information:
Journal Name: Journal of the Electrochemical Society (Online) Journal Volume: 167 Journal Issue: 14; Journal ID: ISSN 1945-7111
Publisher:
The Electrochemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE

Citation Formats

Shurtz, Randy C. A Thermodynamic Reassessment of Lithium-Ion Battery Cathode Calorimetry. United States: N. p., 2020. Web. https://doi.org/10.1149/1945-7111/abc7b4.
Shurtz, Randy C. A Thermodynamic Reassessment of Lithium-Ion Battery Cathode Calorimetry. United States. https://doi.org/10.1149/1945-7111/abc7b4
Shurtz, Randy C. Thu . "A Thermodynamic Reassessment of Lithium-Ion Battery Cathode Calorimetry". United States. https://doi.org/10.1149/1945-7111/abc7b4.
@article{osti_1730954,
title = {A Thermodynamic Reassessment of Lithium-Ion Battery Cathode Calorimetry},
author = {Shurtz, Randy C.},
abstractNote = {This work demonstrates how staged heat release from layered metal oxide cathodes in the presence of organic electrolytes can be predicted from basic thermodynamic properties. These prediction methods for heat release are an advancement compared to typical modeling approaches for thermal runaway in lithium-ion batteries, which tend to rely exclusively on calorimetry measurements of battery components. These calculations generate useful new insights when compared to calorimetry measurements for lithium cobalt oxide (LCO) as well as the most common varieties of nickel manganese cobalt oxide (NMC) and nickel cobalt aluminum oxide (NCA). Accurate trends in heat release with varying state of charge are predicted for all of these cathode materials. These results suggest that thermodynamic calculations utilizing a recently published database of properties are broadly applicable for predicting decomposition behavior of layered metal oxide cathodes. Aspects of literature calorimetry measurements relevant to thermal runaway modeling are identified and classified as thermodynamic or kinetic effects. The calorimetry measurements reviewed in this work will be useful for development of a new generation of thermal runaway models targeting applications where accurate maximum cell temperatures are required to predict cascading cell-to-cell propagation rates.},
doi = {10.1149/1945-7111/abc7b4},
journal = {Journal of the Electrochemical Society (Online)},
number = 14,
volume = 167,
place = {United States},
year = {2020},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1149/1945-7111/abc7b4

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