Journal article
Modeling sizing emulsion droplet deposition onto silica using all-atom molecular dynamics simulations
Composites. Part B, Engineering, v 235, p109712
15 Apr 2022
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Understanding structure-function relationships of the matrix-fiber interphase is important for the future design of composites with enhanced performance. This interphase structure is determined in part by sizing, an emulsion of epoxy film-former, silane coupling agent, and surfactant applied to fibers prior to work-up and resin impregnation. The multicomponent, microphase-separated nature of sizing makes it difficult to study using experiments and continuum-level simulations. In this study, microsecond all-atom molecular dynamics (MD) simulations are used to elucidate the dynamics of complex multicomponent sizing droplets on glass fiber surfaces. We analyze droplet/surface properties such as spreading factor, component density profiles, and spatial distribution of hydrogen bonds. From these observables, we show that the triblock copolymer surfactant enhances wetting of the epoxy resin film former on the glass surface, whereas the silane coupling agent slows down the spreading by pinning the droplet via siloxyl-surface hydrogen bonding. This work takes a step toward systematic understanding of the functionality of sizing in allowing pre-cured resin to wet glass surfaces in the context of composite lay-up.
Metrics
Details
- Title
- Modeling sizing emulsion droplet deposition onto silica using all-atom molecular dynamics simulations
- Creators
- Salman Zarrini - Drexel UniversityCameron F. Abrams - Drexel University
- Publication Details
- Composites. Part B, Engineering, v 235, p109712
- Publisher
- Elsevier
- Number of pages
- 8
- Grant note
- TG-MCB070073N / Texas Advanced Supercomputing Center W911NF-12-R-0011; W911NF-14-2-0227 / Army Research Laboratory, United States ACI-1548562 / National Science Foundation, United States; National Science Foundation (NSF)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Information Science; Chemical and Biological Engineering
- Web of Science ID
- WOS:000760458800002
- Scopus ID
- 2-s2.0-85124965290
- Other Identifier
- 991019167976404721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Engineering, Multidisciplinary
- Materials Science, Composites