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

K. A.T. Silverstein; K. A. Dill; A. D.J. Haymet

doi:10.1016/s0378-3812(98)00278-7

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

K. A.T. Silverstein
, K. A. Dill
, A. D.J. Haymet

Laufer Center for Physical and Quantitative Biology

University of California at San Francisco
The University of Sydney
University of Houston

Research output: Contribution to journal › Conference article › peer-review

24 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	83-90
Number of pages	8
Journal	Fluid Phase Equilibria
Volume	150
Issue number	151
DOIs	https://doi.org/10.1016/s0378-3812(98)00278-7
State	Published - 1998
Event	Proceedings of the 1997 13th Symposium on Thermophysical Properties - Boulder, CO, USA Duration: Jun 22 1997 → Jun 27 1997

Keywords

Hydrophobicity
Phase diagram
Two dimensions
Water model

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10.1016/s0378-3812(98)00278-7

Cite this

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title = "Hydrophobicity in a simple model of water: Solvation and hydrogen bond energies",

abstract = "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.",

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volume = "150",

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note = "Proceedings of the 1997 13th Symposium on Thermophysical Properties ; Conference date: 22-06-1997 Through 27-06-1997",

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T1 - Hydrophobicity in a simple model of water

T2 - Proceedings of the 1997 13th Symposium on Thermophysical Properties

AU - Silverstein, K. A.T.

AU - Dill, K. A.

AU - Haymet, A. D.J.

PY - 1998

Y1 - 1998

N2 - 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.

AB - 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.

KW - Hydrophobicity

KW - Phase diagram

KW - Two dimensions

KW - Water model

UR - https://www.scopus.com/pages/publications/0032172856

U2 - 10.1016/s0378-3812(98)00278-7

DO - 10.1016/s0378-3812(98)00278-7

M3 - Conference article

AN - SCOPUS:0032172856

SN - 0378-3812

VL - 150

SP - 83

EP - 90

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

IS - 151

Y2 - 22 June 1997 through 27 June 1997

ER -

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

Abstract

Keywords

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