Quantitative relationships between microstructure and effective transport properties based on virtual materials testing

Gaiselmann, Gerd; Neumann, Matthias; Schmidt, Volker; Pecho, Omar; Hocker, Thomas; Holzer, Lorenz

doi:10.1002/aic.14416

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
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
DOI:	10.1002/aic.14416
Published in:	AIChE Journal
Volume(Issue):	60
Issue:	6
Page(s):	1983
Pages to:	1999
Issue Date:	25-Feb-2014
Publisher / Ed. Institution:	Wiley
ISSN:	1547-5905 0001-1541
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 σeff 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 (ε, τ, β) 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: σeff = σ0^2.03ε^1.57β^0.72/τ^2 with intrinsic conductivity σ0. The equation is important for future studies in, for example, batteries, fuel cells, and for transport processes in porous materials.
URI:	https://digitalcollection.zhaw.ch/handle/11475/1633
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	School of Engineering
Organisational Unit:	Institute of Computational Physics (ICP)
Appears in collections:	Publikationen School of Engineering

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Gaiselmann, G., Neumann, M., Schmidt, V., Pecho, O., Hocker, T., & Holzer, L. (2014). Quantitative relationships between microstructure and effective transport properties based on virtual materials testing. AIChE Journal, 60(6), 1983–1999. https://doi.org/10.1002/aic.14416

Gaiselmann, G. et al. (2014) ‘Quantitative relationships between microstructure and effective transport properties based on virtual materials testing’, AIChE Journal, 60(6), pp. 1983–1999. Available at: https://doi.org/10.1002/aic.14416.

G. Gaiselmann, M. Neumann, V. Schmidt, O. Pecho, T. Hocker, and L. Holzer, “Quantitative relationships between microstructure and effective transport properties based on virtual materials testing,” AIChE Journal, vol. 60, no. 6, pp. 1983–1999, Feb. 2014, doi: 10.1002/aic.14416.

GAISELMANN, Gerd, Matthias NEUMANN, Volker SCHMIDT, Omar PECHO, Thomas HOCKER und Lorenz HOLZER, 2014. Quantitative relationships between microstructure and effective transport properties based on virtual materials testing. AIChE Journal. 25 Februar 2014. Bd. 60, Nr. 6, S. 1983–1999. DOI 10.1002/aic.14416

Gaiselmann, Gerd, Matthias Neumann, Volker Schmidt, Omar Pecho, Thomas Hocker, and Lorenz Holzer. 2014. “Quantitative Relationships between Microstructure and Effective Transport Properties Based on Virtual Materials Testing.” AIChE Journal 60 (6): 1983–99. https://doi.org/10.1002/aic.14416.

Gaiselmann, Gerd, et al. “Quantitative Relationships between Microstructure and Effective Transport Properties Based on Virtual Materials Testing.” AIChE Journal, vol. 60, no. 6, Feb. 2014, pp. 1983–99, https://doi.org/10.1002/aic.14416.