414755 Studying the Suitability of Ionic Liquids for Pharmaceutical Separation Processes

Monday, November 9, 2015: 3:15 PM
255C (Salt Palace Convention Center)
Andrew Paluch1, Fenglin Han1 and Luciano Costa2, (1)Chemical, Paper, and Biomedical Engineering, Miami University, Oxford, OH, (2)Instituto de Quimica, Universidade Federal Fluminense, Niteroi, Brazil

Ionic liquids (ILs) make up a unique class of highly tunable solvents. The IL cation and anion may virtually be altered at will to change their physical and chemical properties, allowing a near infinite number of IL candidates for a particular task. However, exploring such a massive chemical compound space using experimentation is highly challenging. Given this situation, atomistic molecular simulation is a promising design tool to help understand the structure-property relationships governing the phase-behavior of solutes in ILs. In this work we studied the phase-behavior of acetaminophen in 21 ILs, and observed solubility enhancement on the order of one million times that in water and cyclohexane.

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See more of this Session: Area 1A Poster Session Short Presentations
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