Carnegie Mellon University

The Merck Computational Biology and Chemistry Program

Distinguished Seminar Abstract

Dr. Ken Dill
Professor of Pharmaceutical Chemistry and Associate Dean of Research in the School of Pharmacy, University of California, San Francisco
Modeling Water, the Hydrophobic Effect, and Ion Solvation
September 10, 2003
3:30 PM, Mellon Institute Conference Room

Water is regarded as an unusual liquid. A prominent example of unusual behavior is that ice floats on liquid water, whereas most solids sink in their liquids. We have developed a simple statistical mechanical theory for the structure and physical properties of pure water, and of water as a solvent for nonpolar and ionic solutes. We find that hot water is a relatively normal liquid -- it expands with temperature for example -- but that the remarkable properties of cold water (room temperature or below) result from restrictions of water orientations due to hydrogen bonding. A very simple model can capture many of these properties.