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A simple analytical model of water

  • University of Texas at Austin

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

Water is an unusual liquid. It expands upon freezing, has minima in its volume, heat capacity, and isothermal compressibility with temperature, and shows signs of a first-order phase transition when supercooled. These anomalies disappear at high pressures. We review a recent analytical theory that predicts water's thermal properties and the main features of its phase diagram, including multiple crystalline phases and a fluid-fluid transition in the supercooled liquid. It also predicts a fragile-to-strong crossover in supercooled water's temperature-dependent relaxation processes. The theory is based on a simplified model for how triplets of waters interact via hydrogen bonds, steric repulsions, and dispersion attractions. It is designed to give simple insights into the microscopic origins of water's properties.

Original languageEnglish
Pages (from-to)449-459
Number of pages11
JournalBiophysical Chemistry
Volume105
Issue number2-3
DOIs
StatePublished - Sep 1 2003

Keywords

  • Analytical model
  • Hydrogen-bonding
  • Phase diagram
  • Statistical mechanics
  • Thermodynamic anomalies
  • Water

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