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Research Abstracts Online
January 2010 - March 2011

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University of Minnesota Twin Cities
College of Science and Engineering
Department of Chemical Engineering and Materials Science

PI: David C. Morse, Associate Fellow

Computational Polymer Physics

The goal of this work is to elucidate molecular origins of both equilibrium and dynamical behavior of novel polymer fluids. Self-consistent field (SCF) theory of inhomogenous polymer liquids is used to study complex equilibrium structures formed by block copolymers, including periodic phases, micelles and interfaces. Monte Carlo and molecular dynamics simulations of coarse-grained models of polymer liquids are used to probe the limits of the SCF approximation, and to test parallel theoretical work in which we are attempting predict deviations from SCFT. Studies of slip at polymer-polymer interfaces combine a very coarse-grained "slip link” model of the motion of entangled polymers with a SCF description of the interface.

Group Members

Jun Chung, Graduate Student
Andrew Gustafson, Graduate Student
Sharad Kumar, Graduate Student
Pavani S. Medapuram Lakshmi Narasimha, Graduate Student
Jian Qin, Graduate Student
Raghuram Thiagarajan, Graduate Student