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Seminars
Structure and Solvation in hydrogen-bonding fluids: A molecular perspective
Dr. J. Ilja Siepmann
Department of Chemistry
University of Minnesota, Minneapolis, Minnesota
When: Thursday, October 25, 2007
Time: 2:30PM - 3:30PM
Where: 1070 Duncan Hall
Abstract:
This talk will focus on applications of efficient particle-based simulation methods and accurate force fields to obtain molecular-level insights on structure and solvation in complex chemical systems.
These simulations help to reconcile often conflicting views based on macroscopic measurements. In particular, the following systems will be discussed: structure and solvation in neat and water-saturated 1-octanol, aggregation in dilute solutions of hexanol isomers and glycols in n-hexane, and structure and retention in reversed-phase liquid chromatography.
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