Elsevier

Journal of Power Sources

Volume 199, 1 February 2012, Pages 1-13
Journal of Power Sources

Review
A review of modeling and simulation techniques across the length scales for the solid oxide fuel cell

https://doi.org/10.1016/j.jpowsour.2011.10.010Get rights and content

Abstract

Recent advances in computational techniques have allowed the application of computational tools to study heterogeneous functional materials (HeteroFoaMs) in the solid oxide fuel cell (SOFC) from the quantum (sub-atomic) to atomistic to the continuum scales. However, knowledge gained from a particular computational technique can only provide insight at that specific scale. There has been a recent interest to develop a more cohesive effort so that results obtained from models across a particular spatial dimension can be used to extract additional insight across a larger range of length scales. This review article surveys recent progress in the modeling and simulation of SOFCs, and relates them to the relevant physical phenomena and length/time scales. We then proceed to review the various numerical techniques used, and their applicability across the length and time scales.

Highlights

► Recent advances focused on quantum (sub-atomic) to atomistic to the continuum scales. ► There is recent interest to develop a cohesive effort across a larger range of length scales. ► This review article surveys recent progress in the multiscale modeling of SOFCs. ► Various numerical techniques used and their applicability is discussed. ► Results are related to the relevant physical phenomena and length scales.

Section snippets

Background and introduction

Modeling and simulation provides a unique opportunity to assist with the development of materials, components, and practices for next generation solid oxide fuel cells (SOFCs). The methods enhance our ability to comprehend the connections between functional and detrimental behavior and their impact on the cell. However, it is a challenge to treat these aspects across the breadth of time and length scales over which they originate and manifest themselves. This is complicated by the heterogeneous

Approaches to modeling and simulation

The typical scientific approach to research and development either relies upon trial and error, the so called Edisonian approach, or it relies upon the maturation of the scientific understanding of the relevant materials properties, thermodynamic properties, physics, chemistries, and responses of the system through systematic exploration. Individual aspects of the system are separated and studied to help refine this understanding. This has often been accomplished by means of tedious

Conclusions and outlook

Over the course of this review, a variety of studies that have explored unique aspects and scales of the SOFC system, operation, structure, chemical and physical processes, and degradation/evolution have been highlighted. Many of these studies, which are a sampling of those within the community, have taken unique aspects to understand processes in the SOFC. Individually, each of the methods presented is capable of providing valuable information regarding the properties, performance, structure,

Acknowledgments

WKSC gratefully acknowledges financial support from the Energy Frontier Research Center on Science Based Nano-Structure Design and Synthesis of Heterogeneous Functional Materials for Energy Systems (HeteroFoaM Center) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (Award DE-SC0001061). KNG gratefully acknowledges that this effort was supported, in part, by an appointment to the U.S. Army Research Laboratory Postdoctoral Fellowship Program

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