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One-dimensional model for water and aqueous solutions. I. Pure liquid water

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Abstract

Two simplified one-dimensional models for waterlike particles are studied. One is referred to as the primitive model which is a simplified version of a model introduced by Ben-Naim in 1992 [Statistical Thermodynamics for Chemists and Biochemists (Plenum, New York, 1992)]. The second, referred to as the primitive cluster model, is a simplified version of the model used by Lovett and Ben-Naim in 1969 [J. Chem. Phys. 51, 3108 (1969)]. The two models are shown to be nearly equivalent and both exhibit some of the most characteristic behavior of liquid water. It is argued that a key feature of the molecular interactions-the correlation between the strong binding energy and low local density-is essential for the manifestation of the anomalous behavior of liquid water. It is also essential for the understanding of the outstanding behavior of liquid water.

Original languageEnglish
Article number024505
JournalJournal of Chemical Physics
Volume128
Issue number2
DOIs
StatePublished - 2008

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