Drying and hydrophobic collapse of paraffin plates

被引:68
作者
Huang, XH
Zhou, RH
Berne, BJ [1 ]
机构
[1] Columbia Univ, Dept Chem, New York, NY 10027 USA
[2] IBM Corp, Thomas J Watson Res Ctr, Comp Biol Ctr, Yorktown Hts, NY 10598 USA
关键词
D O I
10.1021/jp045520l
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:3546 / 3552
页数:7
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