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Rheology and Flow of Complex Fluids. Many everyday substances are not readily classified as solids or liquids, but have flow properties (i.e., rheology) somewhere in between. Such fluids typically have a polymeric or colloidal microstructure much larger than the atomic which dominates the rheological (i.e., flow) properties. Through rheological experiments, theory, and computer simulations, the Larson group is working out the relationship between the structure of these complex fluids and their rheology. Such knowledge is valuable in the optimal design of such fluids for applications in the polymer, pharmaceutical, and consumer products industries. Of particular interest at present are branched polymer melts, surfactant solutions, coating fluids, colloids and biopolymers. The group has current projects on the rheology of surfactant solutions, including those used in shampoos and body washes, and on the interfacial action of dispersants used in oil-spill clean up. We also have a project to determine how best to control the rheology of latex coatings. We are developing advanced theories for the rheological properties of entangled polymers with long-chain branching. We also helping design novel methods of high-speed manufacture of nanofibers, using rotary jet spinning. The work includes experimental, theoretical and computational components.
Molecular Simulations of Complex Fluids and Materials. Our group has multiple projects involving molecular simulations of polymers, surfactants, and colloids. These include molecular dynamics simulations at the atomistic level, starting from interactions between atoms derived in part from ab initio (quantum mechanical) calculations, coarse-grained molecular dynamics simulations, Brownian dynamics simulations, Stochastic Rotation Dynamics and Stokesian dynamics simulations. We are specifically looking at polymers in strong flows, at levels of resolution ranging from atomistic simulations of short chains to Brownian dynamics simulations of very long chains. This includes simple flows as well as flows of polymers through complex geometries, such as channels with contractions. We are also simulating self-assembling colloids, where anisotropic interactions between particles allow unique structures to self assemble and re-configure. We are carrying out atomistic and coarse-grained simulations of latex particle dispersions to better control their flow properties. We are simulating the interactions between drugs and cellulosic polymers used to optimize their release in the body.
Polyelectrolyte Interactions. We are studying the complexes formed by polymers of opposite charge, which are used to make layer-by-layer assemblies used for drug delivery or structured materials. A special case is that of negatively charged DNA interacting with either positively charged proteins or positively charged nanoparticles. In particular, we are examining the process by which such proteins find their target sites along double-stranded DNA molecules, using both single-molecule imaging methods and theory.
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