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

Magnus Röding (SuMo Biomaterials) ; Erich Schuster (SuMo Biomaterials) ; Katarina Logg (Institutionen för fysik (GU) ; SuMo Biomaterials) ; Malin Lundman (SuMo Biomaterials) ; Per Bergström (SuMo Biomaterials) ; Charlotta Hanson (SuMo Biomaterials) ; Tobias Gebäck (SuMo Biomaterials ; Institutionen för matematiska vetenskaper, matematik) ; Niklas Lorén (SuMo Biomaterials)
Soft Matter (1744-683X). Vol. 12 (2016), 29, p. 6293-6299.
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: fibrous porous-media, lattice boltzmann method, materials design, big, data, simulation, filtration, diffusion, project, filters, Chemistry, Materials Science, Physics, Polymer Science, hweers e, 1994, powder technology, v80, p191



Denna post skapades 2016-09-08.
CPL Pubid: 241475

 

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Institutioner (Chalmers)

SuMo Biomaterials
Institutionen för fysik (GU) (GU)
Institutionen för matematiska vetenskaper, matematik (2005-2016)

Ämnesområden

Textil-, gummi- och polymermaterial

Chalmers infrastruktur