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

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.