2006 AIChE Annual Meeting

(433c) Structure, Dynamics and Thermodynamics of Water Confined by Surfaces with Patterned Hydrophobicity

Authors

Pablo G. Debenedetti - Presenter, Princeton University
Nicolas Giovambattista, Princeton University
Peter J. Rossky, University of Texas, Austin
We present results from molecular dynamics simulations of SPC/E water confined by surfaces with adjustable hydrophobicity. For purely hydrophobic walls we compute a phase diagram at 300K in the (pressure, separation) plane over the range -500 bar