Hydrophobicity in a simple model of water: solvation and hydrogen bond energies

被引：24

作者：

Silverstein, KAT

Dill, KA

Haymet, ADJ

机构：

[1] Univ Calif San Francisco, Grad Grp Biophys, San Francisco, CA 94143 USA

[2] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA

[3] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia

来源：

FLUID PHASE EQUILIBRIA | 1998年 / 150卷

关键词：

hydrophobicity; phase diagram; two dimensions; water model;

D O I：

10.1016/S0378-3812(98)00278-7

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

We explore a simple model of water: Lennard-Jones disks in two dimensions, subject to a Gaussian orientation-dependent hydrogen-bond function. The model, originally developed by Ben-Naim, shows the anomalous features of water and aspects of the hydrophobic effect. Here we further explore its phase diagram and related properties by NPT Monte Carlo simulations. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：83 / 90

页数：8

共 13 条

[1]

Allen M. P., 1987, Computer Simulation of Liquids

[2] GENERALIZED MOLECULAR DISTRIBUTION FUNCTIONS [J].