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 journalConference articlepeer-review

23 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 languageEnglish (US)
Pages (from-to)83-90
Number of pages8
JournalFluid Phase Equilibria
Volume150
Issue number151
DOIs
StatePublished - 1998
EventProceedings of the 1997 13th Symposium on Thermophysical Properties - Boulder, CO, USA
Duration: Jun 22 1997Jun 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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