<p> </p>
<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>
| Identifer | oai:union.ndltd.org:purdue.edu/oai:figshare.com:article/19661454 |
| Date | 27 April 2022 |
| Creators | Andres Urbina (12464403) |
| Source Sets | Purdue University |
| Detected Language | English |
| Type | Text, Thesis |
| Rights | CC BY 4.0 |
| Relation | https://figshare.com/articles/thesis/EXPERIMENTAL_AND_COMPUTATIONAL_STUDIES_OF_HYDROPHOBIC_ASSOCIATION_AND_ION_AFFINITY_FOR_MOLECULAR_OIL_WATER_INTERFACES/19661454 |
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