Browsing by Author Reddy, Govardhan Patluri

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  • Thesis

  • Authors: Reddy, Govardhan Patluri (2006)

  • The effect of solvent on the behavior of complex fluids is studied using simple models. The tools employed in the study are theoretical techniques such as integral equation theory and density functional theory, and computational tools such as Monte Carlo and molecular dynamics simulations. A variation of density functional theory(DFT) in which a water molecule is treated as a solute and the rest of the water molecules as solvent is used to study the structure of bulk water using the simple point charge water model. This study suggests that three body correlations are very important in theory to capture the structure of water at room temperature. The behavior of solvent near a solute p...