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Title: Simulated impedance of diffusion in porous media

This paper describes the use of a frequency domain, finite-difference scheme to simulate the impedance spectra of diffusion in porous microstructures. We investigate both open and closed systems for a range of ideal geometries, as well as some randomly generated synthetic volumes and tomographically derived microstructural data. In many cases, the spectra deviate significantly from the conventional Warburg-type elements typically used to represent diffusion in equivalent circuit analysis. Furthermore, a key finding is that certain microstructures show multiple peaks in the complex plane, which may be misinterpreted as separate electrochemical processes in real impedance data. This is relevant to battery electrode design as the techniques for nano-scale fabrication become more widespread. This simulation tool is provided as an open-source MatLab application and is freely available online as part of the TauFactor platform.
Authors:
 [1] ;  [2] ;  [3] ;  [2]
  1. Imperial College, London (United Kingdom). Dyson School of Design and Engineering
  2. Imperial College, London (United Kingdom). Electrochemical Science and Engineering, Earth Science and Engineering
  3. Univ. College London (UCL) (United Kingdom). Electrochemical Innovation Lab., Dept. of Chemical Engineering; National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Report Number(s):
NREL/JA-5400-70341
Journal ID: ISSN 0013-4686
Grant/Contract Number:
AC36-08GO28308
Type:
Accepted Manuscript
Journal Name:
Electrochimica Acta
Additional Journal Information:
Journal Volume: 251; Journal Issue: C; Journal ID: ISSN 0013-4686
Publisher:
Elsevier
Research Org:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; impedance; microstructure; diffusion; tomography; EIS; Warburg; TauFactor
OSTI Identifier:
1402555

Cooper, Samuel J., Bertei, Antonio, Finegan, Donal P., and Brandon, Nigel P.. Simulated impedance of diffusion in porous media. United States: N. p., Web. doi:10.1016/j.electacta.2017.07.152.
Cooper, Samuel J., Bertei, Antonio, Finegan, Donal P., & Brandon, Nigel P.. Simulated impedance of diffusion in porous media. United States. doi:10.1016/j.electacta.2017.07.152.
Cooper, Samuel J., Bertei, Antonio, Finegan, Donal P., and Brandon, Nigel P.. 2017. "Simulated impedance of diffusion in porous media". United States. doi:10.1016/j.electacta.2017.07.152. https://www.osti.gov/servlets/purl/1402555.
@article{osti_1402555,
title = {Simulated impedance of diffusion in porous media},
author = {Cooper, Samuel J. and Bertei, Antonio and Finegan, Donal P. and Brandon, Nigel P.},
abstractNote = {This paper describes the use of a frequency domain, finite-difference scheme to simulate the impedance spectra of diffusion in porous microstructures. We investigate both open and closed systems for a range of ideal geometries, as well as some randomly generated synthetic volumes and tomographically derived microstructural data. In many cases, the spectra deviate significantly from the conventional Warburg-type elements typically used to represent diffusion in equivalent circuit analysis. Furthermore, a key finding is that certain microstructures show multiple peaks in the complex plane, which may be misinterpreted as separate electrochemical processes in real impedance data. This is relevant to battery electrode design as the techniques for nano-scale fabrication become more widespread. This simulation tool is provided as an open-source MatLab application and is freely available online as part of the TauFactor platform.},
doi = {10.1016/j.electacta.2017.07.152},
journal = {Electrochimica Acta},
number = C,
volume = 251,
place = {United States},
year = {2017},
month = {7}
}