Phase Diagrams of a Simple H-Bonded Lattice Gas Obtained With The Cluster Variation Method.

Abstract

We evaluate the Bell-lattice-model for water by exploring the parameter space by means of the Cluster Variation method of Kihuchi. We use ten order parameters to describe the different occupation of tetrahedrons in the lattice, with and without hydrogen bonds. The phase diagrams are represented in the density-temperature plane and in the pressure temperature plane. An explanation is given as to why there are first order terminal points in the metastable region. We discuss the 180 degree rule and display the ratios of hydrogen bonded pairs versus non-hydrogen bonded pairs. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1981
Accession Number
ADA094158

Entities

People

  • Eddy Van Royen
  • Paul H. E. Meijer

Organizations

  • The Catholic University of America

Tags

Communities of Interest

  • Air Platforms
  • Energy and Power Technologies
  • Ground and Sea Platforms

DTIC Thesaurus Topics

  • Chemistry
  • Critical Temperature
  • Diagrams
  • Earth Sciences
  • Geography
  • High Density
  • High Temperature
  • Hydrogen
  • Hydrogen Bonds
  • Low Density
  • Low Temperature
  • Metastable State
  • Military Research
  • New York
  • Phase
  • Phase Diagrams
  • Phase Transformations

Fields of Study

  • Physics

Readers

  • Fluid Dynamics.
  • Quantum Chemistry

Technology Areas

  • Space
  • Space - Hall-Effect Thruster