Drying and hydrophobic collapse of paraffin plates.
We perform molecular dynamics simulations of the hydrophobic collapse of two paraffin plates to examine how the collapse is mediated by realistic paraffin-water attractive van der Waals forces. We explore several aspects of the drying transition between the plates, including the critical separation for drying and the critical size of the vapor bubble required for the nucleation of the drying event. We also investigate the kinetics of hydrophobic collapse and find that the hydrophobic collapse occurs in about 100 ps. We compare these results with the simulations with the plate-water van der Waals attractions turned off and with recent results on the hydrophobic collapse of multidomain proteins. Last, we discuss the relationship among the dewetting transition critical distance, van der Waals potential well depth, and water contact angle on solute surface using a simple macroscopic theory.
Huang
Xuhui
X
Department of Chemistry, Columbia University, New York, New York 10027, USA.
Zhou
Ruhong
R
Berne
Bruce J
BJ
D002627:Chemistry, Physical / Q000379:methods*; D003198:Computer Simulation; D004058:Diffusion; D006108:Graphite / Q000737:chemistry; D007700:Kinetics; D015233:Models, Statistical; D010232:Paraffin / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry; D013997:Time Factors; D014867:Water / Q000737:chemistry
D012997:Solvents; D014867:Water; D006108:Graphite; D010232:Paraffin