Title: Quantitative relationships between microstructure and effective transport properties based on virtual materials testing
Authors : Gaiselmann, Gerd
Neumann, Matthias
Schmidt, Volker
Pecho, Omar
Hocker, Thomas
Holzer, Lorenz
Published in : AIChE Journal : an Official Publication of the American Institute of Chemical Engineers
Volume(Issue) : 60
Issue : 6
Pages : 1983
Pages to: 1999
Publisher / Ed. Institution : John Wiley & Sons, Inc.
Issue Date: 25-Feb-2014
License (according to publishing contract) : Licence according to publishing contract
Type of review: Not specified
Language : English
Subjects : Geometric tortuosity; Map; Constrictivity; Effective conductivity
Subject (DDC) : 530: Physics
660: Chemical engineering
Abstract: The microstructure influence on conductive transport processes is described in terms of volume fraction ε, tortuosity τ, and constrictivity β. Virtual microstructures with different parameter constellations are produced using methods from stochastic geometry. Effective conductivities [inline image] are obtained from solving the diffusion equation in a finite element model. In this way, a large database is generated which is used to test expressions describing different micro–macro relationships such as Archie's law, tortuosity, and constrictivity equations. It turns out that the constrictivity equation has the highest accuracy indicating that all three parameters [inline image] are necessary to capture the microstructure influence correctly. The predictive capability of the constrictivity equation is improved by introducing modifications of it and using error-minimization, which leads to the following expression: [inline image] with intrinsic conductivity [inline image] . The equation is important for future studies in, for example, batteries, fuel cells, and for transport processes in porous materials.
Departement: School of Engineering
Organisational Unit: Institute of Computational Physics (ICP)
Publication type: Article in scientific Journal
DOI : 10.1002/aic.14416
ISSN: 1547-5905
URI: https://digitalcollection.zhaw.ch/handle/11475/1633
Appears in Collections:Publikationen School of Engineering

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