Molecular Dynamics Study on Cluster Structure of Water (Dependence of Cluster Size and Its Probability Distribution on Temperature and Density

Taku Ohara, Toshio Amara

Research output: Contribution to journalArticle

Abstract

A molecular dynamics (MD) study was performed on water over a wide range of temperature and density. The vapor-liquid coexistence region and near-critical region were intensively studied. The Carravetta-Clementi (CC) potential function was applied, and simulation for a system of 256 molecules was performed for 97 state points. Dependence of cluster size and its probability distribution on temperature and density were analyzed in detail.

Original languageEnglish
Pages (from-to)496-503
Number of pages8
JournalTransactions of the Japan Society of Mechanical Engineers Series B
Volume60
Issue number570
DOIs
Publication statusPublished - 1994 Jan 1
Externally publishedYes

Keywords

  • Critical Point
  • Dimer
  • Molecular Cluster
  • Molecular Dynamics
  • Supercritical Fluid
  • Water

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Mechanical Engineering

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