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Mesoscale Modeling and Analysis in Electrochemical Energy Systems

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Computer Aided Engineering of Batteries

Part of the book series: Modern Aspects of Electrochemistry ((MAOE,volume 62))

Abstract

Electrochemical energy systems are critical from an environmental perspective and provide a pathway to a sustainable energy future. The widespread adoption of these systems is achieved through various applications such as electrically powered aircraft, vehicles, and grid-scale storage. Within these devices, electrochemical physics originates from reaction-coupled interfacial and transport interactions. Advanced computational modeling strategies consider these interactions at multiple temporal and length scales from atomistic to system level. In this context, mesoscale modeling plays a pivotal role in resolving the intermediate length scales, at the intersection of material characteristics and device operation scale. These modeling strategies are contingent upon resolving the fundamental reactive-transport interactions through solving conservation laws. In this chapter, we focus on such a mesoscale modeling methodology accomplished in the context of intercalation electrodes such as lithium-ion batteries, conversion electrodes such as lithium-sulfur batteries, and flow electrodes such as polymer electrolyte fuel cells. The physics-based mass and charge conservation equations are elucidated first which is followed by key examples pertaining to the performance and durability of such systems.

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Acknowledgments

Financial support in part from National Science Foundation (NSF grant: 1805215) is gratefully acknowledged. The authors acknowledge the American Society of Mechanical Engineers, American Chemical Society, Elsevier, the Electrochemical Society, and the Royal Society of Chemistry for the figures reproduced in this chapter from the referenced publications of their journals.

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Authors and Affiliations

  1. School of Mechanical Engineering, Purdue University, West Lafayette, IN, USA

    Venkatesh Kabra, Navneet Goswami, Bairav S. Vishnugopi & Partha P. Mukherjee

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  1. Venkatesh Kabra
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  2. Navneet Goswami
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  3. Bairav S. Vishnugopi
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  4. Partha P. Mukherjee
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Correspondence to Partha P. Mukherjee .

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  1. National Renewable Energy Laboratory, Golden, CO, USA

    Shriram Santhanagopalan

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Kabra, V., Goswami, N., Vishnugopi, B.S., Mukherjee, P.P. (2023). Mesoscale Modeling and Analysis in Electrochemical Energy Systems. In: Santhanagopalan, S. (eds) Computer Aided Engineering of Batteries. Modern Aspects of Electrochemistry, vol 62. Springer, Cham. https://doi.org/10.1007/978-3-031-17607-4_3

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  • DOI: https://doi.org/10.1007/978-3-031-17607-4_3

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