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RUI: The Role of Solvent Density and Solvation on the Enol-Keto Tautomerism in Supercritical Fluid Solvents
Award #0206805
Principal Investigator :Yoonkook Park
Tuskegee University Overview The overall objective of the proposed project is to understand the molecular interaction between solute and supercritical fluid (SCFs) solvents. Both experimental techniques and a theoretical approach will be applied to investigate the role of solvent density and solvation in enol-keto tautomerism. Specific objectives involve: 1) The enol-keto tautomeric equilibrium constant in supercritical carbon dioxide and ethane will be estimated by using Fourier Transform infrared spectroscopy. The density of solvent will be adjusted by varying the temperature and pressure to investigate the effect of density on enol-keto tautomerism, 2) The role of solvation will also be investigated by comparing the tautomeric equilibrium constants in supercritical carbon dioxide with those in supercritical ethane. The quadrapole moment for carbon dioxide may lead to a chemical interaction with solutes (mono- and bicarbonyl compounds), 3) Theoretical tautomeric equilibrium constants in SCF solvent will be determined by using the lattice fluid hydrogen bonding model. The modeling work will reflect the interactions between solute and solvent in a quantitative manner. The significance of this proposed research is that it is likely to produce an expansion of the potential uses of SCFs as a means of reaction and as extraction media. This is based on increasing our understanding of the molecular interactions between solute and solvent, which is critical for the application of SCF solvents towards biotechnology, nano-particle and composite materials, remediation of waste materials, and the design and synthesis of multi-functional polymers.
The above photo is a picture of members at both Auburn University(AU) and Tuskegee University (TU). (From left) Dr. Yoonkook Park (TU), Chinsammy Raju (TU; graduate student from NJ; Chemical Engineering), Demetrius Barefield (TU; graduate student from IL, Chemical Engineering), Philip Bell (AU), Karen Anderson (TU; graduate student from CA, Chemical Engineering), and Dr. Christopher Roberts (AU). Additional graduate students in Chemical Engineering working on this project are April Freeman (AL), Avanalist Jackson, III (IL), Christopher Brooks (CA), Brandon Ammons (FL), and Dwayne Vickers (AL; interested in Biomedical Engineering).
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