Predicting Morphology of Polymers Using Mesotek+

Report No. ARL-TR-5087
Authors: Tanya L. Chantawansri; Erin M. Lennon; Jan Andzelm
Date/Pages: February 2010; 30 pages
Abstract: When new polymeric materials are designed, it is desirable if computational modeling can be used to predict microscale self-assembly and physical properties. Field theoretic methods such as self-consistent field theory have been used to accurately model the self-assembly behavior for a variety of dense polymeric systems of high molecular weight. This theory, as developed by Glenn Fredrickson and coworkers, has been programmed into a C++ code called Mesotek+. This report presents a theory overview and an introduction on how to use the program. An input file is then produced for Mesotek+ to reproduce the phase behavior for an experimental system of poly (styrene-b-isoprene) in the solvent tetradecane (C-14).
Distribution: Approved for public release
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Last Update / Reviewed: February 1, 2010