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Roles of the Coupling Agent and Surfactant in Droplet Structure in Sizing Emulsions: A Molecular Dynamics Simulations Study
Journal article   Peer reviewed

Roles of the Coupling Agent and Surfactant in Droplet Structure in Sizing Emulsions: A Molecular Dynamics Simulations Study

Salman Zarrini and Cameron F. Abrams
Langmuir, v 37(33), pp 10183-10190
24 Aug 2021
PMID: 34396774

Abstract

Chemistry Chemistry, Multidisciplinary Chemistry, Physical Materials Science Materials Science, Multidisciplinary Physical Sciences Science & Technology Technology
Sizing emulsions used as glass fiber surface treatments in composites manufacturing are aqueous suspensions of hydrophobic film formers, surface coupling agents, and surfactants. We employ all-atom molecular dynamics simulations to characterize droplet structures in several aqueous blends of the film-former diglycidyl ether of bisphenol A, coupling agent glycidoxypropyl trimethoxysilane, and a triblock copolymer surfactant (Pluronic L35 PEO/PPO copolymer). We show that the quasi-equilibrium states of emulsion droplets are invariant to different initial configurations. We examine the role of the surfactant in determining coupling agent partitioning between the droplet shell and corona and coupling agent cluster size distributions. This work takes a step toward systematic understanding of the sizing chemistry to optimize the interface between the glass and the resin in commercially relevant composites.

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Web of Science research areas
Chemistry, Multidisciplinary
Chemistry, Physical
Materials Science, Multidisciplinary
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