Molecular dynamics study of water in trans-critical region (analysis of microscopic structure)

Taku Ohara; Toshio Aihara; Susumu Kotake

Molecular dynamics study of water in trans-critical region (analysis of microscopic structure)

Taku Ohara, Toshio Aihara, Susumu Kotake

Research output: Contribution to journal › Article › peer-review

Abstract

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 language	English
Pages (from-to)	230-235
Number of pages	6
Journal	Nippon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B
Volume	59
Issue number	561
Publication status	Published - 1993 May 1
Externally published	Yes

ASJC Scopus subject areas

Condensed Matter Physics
Mechanical Engineering

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AB - 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.

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JO - Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B

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SN - 0387-5016

IS - 561

ER -

Molecular dynamics study of water in trans-critical region (analysis of microscopic structure)

Abstract

ASJC Scopus subject areas

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