Experimental and Computational Studies of Hydrophobic Association and Ion Affinity for Molecular Oil/Water Interfaces
Abstract
Experimental and computational techniques are used to study physico-chemical phenomena occurring in water on which hydrophobic interactions play a role. In particular, hydrophobic self-aggregation, including host-guest binding, and the affinity of ions to oil/water interfaces are investigated. Raman multivariate curve resolution (Raman-MCR) spectroscopy was the experimental technique used to unveil intermolecular interactions through the analysis of solute-correlated (SC) vibrational spectra. Molecular simulations, including molecular dynamics (MD) simulations, quantum-mechanical calculations, or a combination of both, were carried out to assist with the molecular-level interpretation of the experimental SC spectra.
Degree
Ph.D.
Advisors
Ben-Amot, Purdue University.
Subject Area
Biology|Atomic physics|Optics|Physics
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