(214t) Scft Simulation of Rod-Coil Block Copolymer Nanocomposites
AIChE Annual Meeting
2013
2013 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Poster Session: Computational Molecular Science and Engineering Forum (CoMSEF)
Monday, November 4, 2013 - 6:00pm to 8:00pm
Computer simulations are performed for rod-coil block copolymer systems containing embedded nanoparticles. Due to the complexity of the rod-coil block copolymer phase space, systems of interest are restricted to the lamellar phases; these include the smectic and nematic phases. Self-consistent field theory is used to model the rod-coil block copolymer interactions and behavior. The simulations are performed for varying Maier-Saupe interaction strengths, rod lengths, different particle sizes, and particle affinities.