Prediction of diffusive transport through polymer films from characteristics of the pore geometry
Journal article, 2019

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.

boundary effects

diffusive transport

transport prediction

porous media

pore geometry characterization

Author

Sandra Barman

Chalmers, Mathematical Sciences

University of Gothenburg

Holger Rootzen

Chalmers, Mathematical Sciences, Applied Mathematics and Statistics

David Bolin

University of Gothenburg

Chalmers, Mathematical Sciences, Applied Mathematics and Statistics

AICHE Journal

0001-1541 (ISSN) 1547-5905 (eISSN)

Vol. 65 1 446-457

Subject Categories

Chemical Engineering

Materials Chemistry

DOI

10.1002/aic.16391

More information

Latest update

8/18/2019