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

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 (US)
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
Externally published	Yes
Event	Proceedings of the 1997 13th Symposium on Thermophysical Properties - Boulder, CO, USA Duration: Jun 22 1997 → Jun 27 1997

Bibliographical note

Funding Information:
KATS gratefully acknowledges support under a U.S. National Science Foundation Graduate Research Fellowship and a UCSF Regent's Fellowship. In Australia this research was supported by the Australian Research Council (ARC) (Grant No. A29530010), and SydCom the USyd/UTS Distributed Processing Facility funded by an ARC infrastructure grant.

Keywords

Hydrophobicity
Phase diagram
Two dimensions
Water model

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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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AU - Dill, K. A.

AU - Haymet, A. D.J.

N1 - Funding Information: KATS gratefully acknowledges support under a U.S. National Science Foundation Graduate Research Fellowship and a UCSF Regent's Fellowship. In Australia this research was supported by the Australian Research Council (ARC) (Grant No. A29530010), and SydCom the USyd/UTS Distributed Processing Facility funded by an ARC infrastructure grant.

PY - 1998

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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.

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KW - Phase diagram

KW - Two dimensions

KW - Water model

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ER -

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

Abstract

Bibliographical note

Keywords

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