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Orientation-dependent integral equation theory for a two-dimensional model of water

  • T. Urbič
  • , V. Vlachy
  • , Yu V. Kalyuzhnyi
  • , K. A. Dill
  • University of Ljubljana
  • NASU - Institute for Condensed Matter Physics

Research output: Contribution to journalArticlepeer-review

69 Scopus citations

Abstract

The Wertheim theory of associated fluids, augmented to account for orientation-dependence, was applied to study the properties of Mercedes Benz model of water. It was shown that introduction of the orientation dependence yields better agreement with Monte Carlo computer simulations for the structure of pure water at all temperatures, and yields some improvement in some cases for the prediction of the thermodynamic properties.

Original languageEnglish
Pages (from-to)5516-5525
Number of pages10
JournalJournal of Chemical Physics
Volume118
Issue number12
DOIs
StatePublished - Mar 22 2003

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