Nonequilibrium thermodynamics of porous electrodes for lithium-ion batteries
Name
1003292020-MIT.pdf
Description
Full printable version
Size
16.7 MB
Format
Adobe PDF
Checksum (MD5)
175d1f1c4f369b5e974fd7af2d4e1043
Author(s)
Smith, Raymond Barrett
Advisor(s)
Martin Z. Bazant.
Date Issued
2017
Publisher
Massachusetts Institute of Technology
Abstract
Lithium-ion batteries are increasingly important, both in portable electronic devices and as grid stabilization for intermittent renewable sources. The varied applications involve varying requirements for safety, lifetime, and energy/power density. The broad requirement space leads to a large design space, requiring either extensive and costly experimentation or effective models. To be predictive enough to facilitate design, models must be based on underlying physics. However, battery models commonly make assumptions known to be false, such as describing phase separating materials with Fickian diffusion. In this thesis, we build on existing battery models by modifying key parts to better capture fundamental phenomena including transport and reactions in phase separating materials. First, we introduce a model of lithium transport and surface reactions within particles of graphite, which has phase separation and is the most common anode material in lithium-ion batteries. We demonstrate key features of the model, including a sensitivity to its electrochemical reaction kinetics as well as its ability to capture both single particle and porous electrode experimental data. Second, we connect a model of electrochemical kinetics that is well-established in the chemistry community to nonequilibrium thermodynamics and apply it to materials with phase separating electrodes. We demonstrate that, although it shares some characteristics with a commonly used phenomenological model, it makes distinct predictions which agree with certain experimental results. Finally, we unify these single-particle models within a volume-averaged model to describe battery behavior at the scale of full porous electrodes. The developed model and simulation software have already been applied by other researchers to help explain behavior of batteries with phase separating materials.
Description
Thesis: Ph. D., Massachusetts Institute of Technology, Department of Chemical Engineering, 2017.
Cataloged from PDF version of thesis.
Includes bibliographical references (pages 147-170).
Subjects
Chemical Engineering.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
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