|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Mesoscopic Simulations of Electric-Field-Aligned Bijel Films for Functionalized Porous Membranes
||Paul Millett, Joseph Carmack
|On-Site Speaker (Planned)
Mesoscopic simulations are used to examine the dynamics of thin films of phase-separating polymers that contain nanoparticles. When phase separation occurs, the nanoparticles segregate to the interfaces between polymer phases, which locks the configuration of the phases into place. To control the morphology of the thin film, an electric field is applied to align the phases and the particles perpendicular to the film. The computational approach is a novel Brownian Dynamics-Cahn Hilliard (BD-CH) hybrid model that combines particle- and grid-based simulation techniques, employed with highly parallel computing for large-scale 3D simulations. Once the desired morphologies are obtained, one of the polymer phases can be dissolved away, leaving a membrane-like structure containing pore-channels that are lined with the nanoparticles, thus imparting functionality to the pore surfaces. This talk will focus on the computational results that illustrate the relationships between the channel diameter, the channel areal density, and the interfacial nanoparticle arrangements.
||Planned: A print-only volume