Molecular Dynamics Study on Hydrogen Bond in Water (2nd Report, Analysis of Hydrogen Bond Network)

Taku Ohara, Toshio Aihara

Research output: Contribution to journalArticle

Abstract

A molecular dynamics study has been performed for water over wide ranges of temperature and density. The Carravetta-Clementi intermolecular potential model was applied for a system of 256 molecules. The liquid-vapor coexistence region, near-critical and supercritical regions, and region of high-density compressed liquid were extensively studied. The network of hydrogen bonds is analyzed in the present report. The size, temperature and density dependences, and structure of the network are presented in detail.

Original languageEnglish
Pages (from-to)1107-1113
Number of pages7
JournalTransactions of the Japan Society of Mechanical Engineers Series B
Volume61
Issue number583
DOIs
Publication statusPublished - 1995 Jan 1
Externally publishedYes

Keywords

  • Cluster
  • Hydrogen Bond
  • Molecular Dynamics
  • Network
  • Structure
  • Water

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Mechanical Engineering

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