Molecular dynamics investigation of interfacial energy and mechanical behavior in braid-reinforced hollow fiber membranes.

Mostafa Jafari, Ali Vatani, Toraj Mohammadi, Ahmadreza Andarz

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Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

4 authors.

Mostafa JafariSchool of Chemical Engineering, College of Engineering, University of Tehran, Tehran, Iran. mustafa.jafari@ut.ac.ir.

Ali VataniInstitute of Liquefied Natural Gas (I-LNG), School of Chemical Engineering, College of Engineering, University of Tehran, Tehran, Iran. avatani@ut.ac.ir.

Toraj MohammadiCenter of Excellence for Membrane Research and Technology, Department of Chemical, Petroleum and Gas Engineering, Iran University of Science and Technology (IUST), Narmak, Tehran, Iran.

Ahmadreza AndarzSchool of Chemical Engineering, College of Engineering, University of Tehran, Tehran, Iran.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study presents a molecular dynamics investigation of braid-reinforced hollow fiber membranes to elucidate the interfacial and mechanical behaviors of polymeric composites composed of cellulose acetate (CA) and polyacrylonitrile (PAN). The analysis focuses on three representative configurations, homogeneous (CA/CA-II), semi-heterogeneous (PAN|CA/CA-I), and heterogeneous hybrid (CA/PAN-III), to evaluate their interfacial energies, adhesion mechanisms, and tensile responses. The calculated interfacial energies of - 6.32077, - 5.69262, and - 4.71113 mJ/m

Indexed as

CompositesInterfacial propertiesNumerical simulationPolymersReinforcements

Identifiers

PMID42420317

DOI10.1038/s41598-026-41106-0

PMCPMC13346476

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.