Prediction of Effective Properties of Porous Carbon Electrodes from a Parametric 3D Random Morphological Model

Pore structures have a major impact on the transport and electrical properties of electrochemical devices, such as batteries and electric double-layer capacitors (EDLCs). In this work we are concerned with the prediction of the electrical conductivity, ion diffusivity and volumetric capacitance of E...

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Bibliographic Details
Published in:Transport in porous media 2017-10, Vol.120 (1), p.141-165
Main Authors: Prill, Torben, Jeulin, Dominique, Willot, François, Balach, Juan, Soldera, Flavio
Format: Article
Language:English
Subjects:
Batteries
Capacitance
Civil Engineering
Classical and Continuum Physics
Computer simulation
Diffusivity
Earth and Environmental Science
Earth Sciences
Electrical properties
Electrical resistivity
Electrodes
Engineering Sciences
Geotechnical Engineering & Applied Earth Sciences
Hydrogeology
Hydrology/Water Resources
Image segmentation
Industrial Chemistry/Chemical Engineering
Materials
Mathematical models
Parameter sensitivity
Predictions
Three dimensional models
Transport properties
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Summary:Pore structures have a major impact on the transport and electrical properties of electrochemical devices, such as batteries and electric double-layer capacitors (EDLCs). In this work we are concerned with the prediction of the electrical conductivity, ion diffusivity and volumetric capacitance of EDLC electrodes, manufactured from hierarchically porous carbons. To investigate the dependence of the effective properties on the pore structures, we use a structurally resolved parametric model of a random medium. Our approach starts from 3D FIB-SEM imaging, combined with automatic segmentation. Then, a random set model is fitted to the segmented structures and the effective transport properties are predicted using full field simulations by iterations of FFT on 3D pore space images and calculations based on the geometric properties of the structure model. A parameter study of the model is used to investigate the sensitivity of the effective conductivity and diffusivity to changes in the model parameters. Finally, we investigate the volumetric capacitance of the EDLC electrodes with a geometric model, make a comparison with experimental measurements and do a parameter study to suggest improved microstructures.
ISSN:0169-3913
1573-1634
DOI:10.1007/s11242-017-0913-1