Molecular Dynamics Study of Water in Trans-Critical Region (Analysis of Microscopic Structure)

Taku Ohara, Toshio Aihara, Susumu Kotake

Research output: Contribution to journalArticlepeer-review


A molecular dynamics (MD) study was performed on water in wide ranges of temperatures and densities. The vapor-liquid coexistence region and near-critical region are intensively studied. By applying the Carravetta-Clementi (CC) potential model for the intermolecular potential function, the pressure and enthalpy responses to temperature and density were obtained. Microscopic information on the molecular structure and behavior, including the velocity auto-correlation and the formation of dimers and clusters, is also presented.

Original languageEnglish
Pages (from-to)1658-1663
Number of pages6
JournalNihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B
Issue number561
Publication statusPublished - 1993


  • Cluster
  • Critical Point
  • Dimer
  • Molecular Dynamics
  • Super-Critical
  • Water


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