Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline Membranes
The description of gas permeation across heterogeneous materials has been studied with many methods, mainly focusing on composites with high aspect ratios and low filler volume fractions. In the present work, the extension of these approaches to semicrystalline polymers is studied, considering a wid...
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MDPI AG
2025-03-01
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| Series: | Membranes |
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| Online Access: | https://www.mdpi.com/2077-0375/15/3/76 |
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| author | Lorenzo Merlonghi Marco Giacinti Baschetti Maria Grazia De Angelis |
| author_facet | Lorenzo Merlonghi Marco Giacinti Baschetti Maria Grazia De Angelis |
| author_sort | Lorenzo Merlonghi |
| collection | DOAJ |
| description | The description of gas permeation across heterogeneous materials has been studied with many methods, mainly focusing on composites with high aspect ratios and low filler volume fractions. In the present work, the extension of these approaches to semicrystalline polymers is studied, considering a wide range of crystalline volume fractions to tackle applications ranging from membranes to barrier materials. A numerical approach focused on tortuosity effects related to the presence of impermeable crystalline domains was considered. Algorithms based on random sequential adsorption and Voronoi tessellation were used to reproduce the morphology of semicrystalline polymers. The flux reduction across the microstructures generated due to the presence of impermeable crystals was calculated by solving local mass balance through a finite volume method. Using this strategy, it was possible to investigate the effect of crystallites’ arrangement, size distribution, orientation and shape on the relative permeability and the tortuosity of semicrystalline membranes. The results were analyzed considering existing macroscopic models and new analytical equations were proposed in order to account on such morphological effects for the prediction of the tortuosity in semicrystalline polymers. |
| format | Article |
| id | doaj-art-0b1dbebc0ba34a41b8b5ffd8ee87f80c |
| institution | DOAJ |
| issn | 2077-0375 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Membranes |
| spelling | doaj-art-0b1dbebc0ba34a41b8b5ffd8ee87f80c2025-08-20T02:42:22ZengMDPI AGMembranes2077-03752025-03-011537610.3390/membranes15030076Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline MembranesLorenzo Merlonghi0Marco Giacinti Baschetti1Maria Grazia De Angelis2Department of Civil, Chemical, Environmental and Material Engineering (DICAM), Alma Mater Studiorum–Università di Bologna, Via Terracini 28, 40131 Bologna, ItalyDepartment of Civil, Chemical, Environmental and Material Engineering (DICAM), Alma Mater Studiorum–Università di Bologna, Via Terracini 28, 40131 Bologna, ItalyDPI, P.O. Box 902, 5600 AX Eindhoven, The NetherlandsThe description of gas permeation across heterogeneous materials has been studied with many methods, mainly focusing on composites with high aspect ratios and low filler volume fractions. In the present work, the extension of these approaches to semicrystalline polymers is studied, considering a wide range of crystalline volume fractions to tackle applications ranging from membranes to barrier materials. A numerical approach focused on tortuosity effects related to the presence of impermeable crystalline domains was considered. Algorithms based on random sequential adsorption and Voronoi tessellation were used to reproduce the morphology of semicrystalline polymers. The flux reduction across the microstructures generated due to the presence of impermeable crystals was calculated by solving local mass balance through a finite volume method. Using this strategy, it was possible to investigate the effect of crystallites’ arrangement, size distribution, orientation and shape on the relative permeability and the tortuosity of semicrystalline membranes. The results were analyzed considering existing macroscopic models and new analytical equations were proposed in order to account on such morphological effects for the prediction of the tortuosity in semicrystalline polymers.https://www.mdpi.com/2077-0375/15/3/76gas transport modellingsemicrystalline membranes |
| spellingShingle | Lorenzo Merlonghi Marco Giacinti Baschetti Maria Grazia De Angelis Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline Membranes Membranes gas transport modelling semicrystalline membranes |
| title | Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline Membranes |
| title_full | Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline Membranes |
| title_fullStr | Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline Membranes |
| title_full_unstemmed | Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline Membranes |
| title_short | Modelling Gas Transport in Multiphasic Materials: Application to Semicrystalline Membranes |
| title_sort | modelling gas transport in multiphasic materials application to semicrystalline membranes |
| topic | gas transport modelling semicrystalline membranes |
| url | https://www.mdpi.com/2077-0375/15/3/76 |
| work_keys_str_mv | AT lorenzomerlonghi modellinggastransportinmultiphasicmaterialsapplicationtosemicrystallinemembranes AT marcogiacintibaschetti modellinggastransportinmultiphasicmaterialsapplicationtosemicrystallinemembranes AT mariagraziadeangelis modellinggastransportinmultiphasicmaterialsapplicationtosemicrystallinemembranes |