2006 AIChE Annual Meeting
(433c) Structure, Dynamics and Thermodynamics of Water Confined by Surfaces with Patterned Hydrophobicity
Authors
Debenedetti, P. G. - Presenter, Princeton University
Giovambattista, N., Princeton University
Rossky, P. J., 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