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Prediction of diffusive transport through polymer films from characteristics of the pore geometry

Journal article
Authors Sandra Eriksson Barman
Holger Rootzén
David Bolin
Published in Aiche Journal
Volume 65
Issue 1
Pages 446-457
ISSN 0001-1541
Publication year 2019
Published at Department of Mathematical Sciences
Pages 446-457
Language en
Links dx.doi.org/10.1002/aic.16391
Keywords diffusive transport, porous media, pore geometry characterization, transport prediction, boundary, lattice boltzmann method, physical-properties, random-fields, microstructure, reconstruction, permeability, tortuosity, interconnectivity, simulation, microscopy, Engineering
Subject categories Mathematics

Abstract

Diffusive transport through porous materials is to a large extent determined by the microstructure of the material. To design materials with controlled transport properties, it is hence important to connect properties of the pore geometry to diffusive transport rates. Different kinds of microstructures from a stochastic model are generated and multiplicative regression is used to find relationships between geometric measures of the microstructures and numerically simulated diffusive transport. The main results are that the geodesic tortuosity explains a large part of the transport variation, and that the standard deviations we introduce further improves prediction. It was found that it is best to compute the tortuosity using the whole pore space, instead of using only the inlet, as is commonly done. The effects of calculating the measures using small samples of the pore structure were investigated, and a method for minimizing errors resulting from boundary effects was proposed.

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