Drying and hydrophobic collapse of paraffin plates.
Drying and hydrophobic collapse of paraffin plates.
复制标题
石蜡板的干燥和疏水塌陷。
DOI：
10.1021/jp045520l
复制
发表时间：
2005
期刊：
影响因子：
--
通讯作者：
B. Berne
中科院分区：
文献类型：
--
作者：
Xuhui Huang;R. Zhou;B. Berne
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.
