Static and Dynamic Properties of Polyelectrolyte Solutions

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Arun Yethirraj is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research on static and dynamic properties of polyelectrolyte solutions. A combination of liquid state theory and computer simulations will be used to investigate the conformational properties, static structure, self diffusion, and viscosity of polyelectrolyte solutions. Monte Carlo simulations will be used to investigate the effect of solvent, chain branching, and charge sequence distribution on the polymer properties and to analyze neutron scattering data on DNA and sodium polystyrene sulphonate. Brownian dynamics will be used to study the kinetics of the collapse transition in polyelectrolyte chains, and to test various models for the dynamic form factors used in the analysis of experimental neutron diffraction data. Non-equilibrium molecular dynamics simulations will also be used to investigate the anomalous behavior of intrinsic viscosity. Polyelectrolytes have a wide range of technological uses: as processing aids such as flocculants, dewatering agents, demulsifiers, and drag reduction agents; as additives in detergents and cosmetics; and in the manufacture of membranes, ion-exchange resins, gels, and modified plastics. The study of polyelectrolytes therefore spans diverse areas such as biomedicine, wastewater treatment, separations, colloid science, and petroleum recovery. The behavior of polyelectrolytes, however, is far from well understood, and Yethiraj's research will help in obtaining a molecular level understanding of these systems. ▓@¥ ─} ̨╠f(DT 'µ ¦M     ı╬i .|7(┴ ═áZ5¯     P9 Ú¥9µ¸ÍG═G49fX╦u    ƒ% P C [G*XË Ú4    ^VC░ #╬0 ┘T³