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Computational high-throughput screening of fluid permeability in heterogeneous fiber materials

Journal article
Authors Magnus Röding
Erich Schuster
Katarina Logg
Malin Lundman
Per Bergström
Charlotta Hanson
Tobias Gebäck
Niklas Lorén
Published in Soft Matter
Volume 12
Issue 29
Pages 6293-6299
ISSN 1744-683X
Publication year 2016
Published at Department of Mathematical Sciences, Mathematics
Pages 6293-6299
Language en
Links dx.doi.org/10.1039/c6sm01213b
Keywords fibrous porous-media, lattice boltzmann method, materials design, big, data, simulation, filtration, diffusion, project, filters, Chemistry, Materials Science, Physics, Polymer Science
Subject categories Textile, Rubber and Polymeric Materials

Abstract

We explore computational high-throughput screening as a design strategy for heterogeneous, isotropic fiber materials. Fluid permeability, a key property in the design of soft porous materials, is systematically studied using a multi-scale lattice Boltzmann framework. After characterizing microscopic permeability as a function of solid volume fraction in the microstructure, we perform high-throughput computational screening of in excess of 35 000 macrostructures consisting of a continuous bulk interrupted by spherical/elliptical domains with either lower or higher microscopic permeability (hence with two distinct microscopic solid volume fractions and therefore two distinct microscopic permeabilities) to assess which parameters determine macroscopic permeability for a fixed average solid volume fraction. We conclude that the fractions of bulk and domains and the distribution of solid volume fraction between them are the primary determinants of macroscopic permeability, and that a substantial increase in permeability compared to the corresponding homogenous material is attainable.

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