POLARIZABLE WATER AT A HYDROPHOBIC WALL

被引：80

作者：

WALLQVIST, A

机构：

[1] Physical Chemistry 2, Chemical Centre, S-221 00 Lund

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 165卷 / 05期

关键词：

D O I：

10.1016/0009-2614(90)85456-M

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 have used a polarizable water model to study the behaviour of a fluid in contact with a smooth wall at room temperature. Structural ordering is similar to that of non-polarizable models; only the first layer of dipoles is affected; diffusion along the walls is reduced and the reorientational correlation time decreases for waters in contact with the wall. Polarization effects are of secondary importance compared to the electrostatics in determining the properties of interfacial waters at a hydrophobic surface. © 1990.

引用

页码：437 / 442

页数：6

共 33 条

[1] MOLECULAR-DYNAMICS SIMULATION OF INTERFACIAL WATER-STRUCTURE AND DYNAMICS IN A PARVALBUMIN SOLUTION [J].