Establishing structure–property linkages for wicking time predictions in porous polymeric membranes using a data-driven approach
Kunz, Willfried
1; Altschuh, Patrick 1; Bremerich, Marcel; Selzer, Michael
2; Nestler, Britta 2
1 Institut für Angewandte Materialien – Mikrostruktur-Modellierung und Simulation (IAM-MMS), Karlsruher Institut für Technologie (KIT)
2 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (KIT)
1; Altschuh, Patrick 1; Bremerich, Marcel; Selzer, Michael
2; Nestler, Britta 21 Institut für Angewandte Materialien – Mikrostruktur-Modellierung und Simulation (IAM-MMS), Karlsruher Institut für Technologie (KIT)
2 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (KIT)
Abstract:
The goal of this study is to develop correlations between microstructure morphology and macroscopic material
behavior, known as structure–property linkages. These correlations can be used to predict material behavior
and enable virtual materials design efforts. In this work the structure–property linkages for the capillary-driven
fluid transport through highly porous open-pored polymeric membranes are determined by a data-driven
approach. To establish linkages, about 400 porous microstructures with different geometrical features are
algorithmically generated and characterized in 3D, using fluid flow simulations and image analysis methods.
The data processing pipeline for the generation and analysis of the microstructures is implemented by a generic
workflow tool called KadiStudio, which is embedded in the research data infrastructure Kadi4mat. The data-
driven analysis enables predictions about the propagation time of a fluid over definable distances when only
the porosity and the ligament radius are known as microstructural properties. The generated knowledge can
be utilized for an accelerated development of novel polymeric membranes with an optimized pore structure.
behavior, known as structure–property linkages. These correlations can be used to predict material behavior
and enable virtual materials design efforts. In this work the structure–property linkages for the capillary-driven
fluid transport through highly porous open-pored polymeric membranes are determined by a data-driven
approach. To establish linkages, about 400 porous microstructures with different geometrical features are
algorithmically generated and characterized in 3D, using fluid flow simulations and image analysis methods.
The data processing pipeline for the generation and analysis of the microstructures is implemented by a generic
workflow tool called KadiStudio, which is embedded in the research data infrastructure Kadi4mat. The data-
driven analysis enables predictions about the propagation time of a fluid over definable distances when only
the porosity and the ligament radius are known as microstructural properties. The generated knowledge can
be utilized for an accelerated development of novel polymeric membranes with an optimized pore structure.
| Zugehörige Institution(en) am KIT | Institut für Nanotechnologie (INT) Institut für Angewandte Materialien – Mikrostruktur-Modellierung und Simulation (IAM-MMS) |
| Publikationstyp | Zeitschriftenaufsatz |
| Publikationsmonat/-jahr | 06.2023 |
| Sprache | Englisch |
| Identifikator | ISSN: 2352-4928 KITopen-ID: 1000158593 |
| HGF-Programm | 38.02.01 (POF IV, LK 01) Fundamentals and Materials |
| Erschienen in | Materials Today Communications |
| Verlag | Elsevier |
| Band | 35 |
| Seiten | Art.-Nr.: 106004 |
| Vorab online veröffentlicht am | 25.04.2023 |
| Schlagwörter | Structure–property linkage; Workflows; Paper-based microfluidics; Lateral flow assay; High-throughput research |
| Nachgewiesen in | Dimensions Web of Science Scopus |