(606a) Dissipative Particle Dynamics (DPD) Simulations of Star Polymer Microdroplets with Tunable Hollowness and Porosity Controlled By Nanoscale Block Architecture
AIChE Annual Meeting
2016 AIChE Annual Meeting
Nanoscale Science and Engineering Forum
Self and Directed Assembly at the Nanoscale
Wednesday, November 16, 2016 - 3:15pm to 3:33pm
Recently we have reported the ability to simultaneously control the nano-scale and micro-scale assembly of droplets, made from star polymers, which are used as scaffolds for tissue regeneration. A variety of hollow, non-hollow, and porous structures were obtained via experiment, and subsequently corroborated by simulation. Importantly, the droplet microstructure was tunable via a single control parameter - the relative density of unreacted star polymer end groups (hydroxyls) within the block. Using dissipative particle dynamics simulations (DPD) containing millions particles we describe how the hydroxyl density controls the droplet structure; by varying the star polymer block architecture (arm length and number) we stabilize different droplet morphologies that can be predicted via the hydroxyl density. Finally, we also highlight the role of solvent selectivity between the hydroxyl groups and the polymer itself in determining the resultant mesostructure.