Dynamics and Viscoelasticity of Semi-Flexible and Liquid-Crystalline Polymers

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9973976MorseThis is a new grant that will support theoretical studies of the molecular kinetics and rheological properties of solutions and melts of semiflexible polymers, in both isotropic and liquid-crystalline phases. Current theoretical understanding of polymer dynamics is based to a large extent upon a few classic models that assume the polymers act either as completely flexible coils or as rigid rods. A large class of semiflexible polymers exists, however, with a degree of rigidity intermediate between these two extremes, and whose dynamical behavior is not well understood. In particular, this work has potential application to a variety of biopolymers, improving our understanding of the effects of the biopolymer structure and elasticity on biological function. This proposed research is intended to provide a unified understanding of the dynamical behavior of solutions of worm-like chains over a wide range of physical parameters, which should serve as a theoretical basis for the analysis of future experiments. Theoretical studies and Brownian simulations of dilute solutions of worm-like chains will examine the dependence of the linear viscoelastic shear modulus and other dynamic response functions upon frequency and chain length. Large-scale Langevin dynamics simulations will be used to quantify the effects of interchain interactions and entanglement in non-dilute solutions of worm-like chains, and to identify the limits of various parameter regimes and corresponding theoretical approaches.This is a new grant that will support theoretical modeling of the dynamics and viscoelastic properties of semiflexible polymers in both isotropic and liquid-crystal phases. Current theoretical understanding of polymer dynamics is based to a large extent upon a few classic models that assume the polymers act either as completely flexible coils or as rigid rods. A large class of semiflexible polymers exists, however, with a degree of rigidity intermediate between these two extremes, and whose dynamical behavior is not well understood. In particular, this work has potential application to a variety of biopolymers, improving our understanding of the effects of the biopolymer structure and elasticity on biological function. This proposed research is intended to provide a unified understanding of the dynamical behavior of solutions of worm-like chains over a wide range of physical parameters, which should serve as a theoretical basis for the analysis of future experiments.