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EXPERIMENTAL AND COMPUTATIONAL STUDIES OF HYDROPHOBIC ASSOCIATION AND ION AFFINITY FOR MOLECULAR OIL/WATER INTERFACES

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<p>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.</p>

  1. 10.25394/pgs.19661454.v1
Identiferoai:union.ndltd.org:purdue.edu/oai:figshare.com:article/19661454
Date27 April 2022
CreatorsAndres Urbina (12464403)
Source SetsPurdue University
Detected LanguageEnglish
TypeText, Thesis
RightsCC BY 4.0
Relationhttps://figshare.com/articles/thesis/EXPERIMENTAL_AND_COMPUTATIONAL_STUDIES_OF_HYDROPHOBIC_ASSOCIATION_AND_ION_AFFINITY_FOR_MOLECULAR_OIL_WATER_INTERFACES/19661454

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