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

Taku Ohara; Toshio Amara

doi:10.1299/kikaib.60.496

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

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

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 language	English
Pages (from-to)	496-503
Number of pages	8
Journal	Transactions of the Japan Society of Mechanical Engineers Series B
Volume	60
Issue number	570
DOIs	https://doi.org/10.1299/kikaib.60.496
Publication status	Published - 1994
Externally published	Yes

Keywords

Critical Point
Dimer
Molecular Cluster
Molecular Dynamics
Supercritical Fluid
Water

ASJC Scopus subject areas

Condensed Matter Physics
Mechanical Engineering

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10.1299/kikaib.60.496

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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.",

keywords = "Critical Point, Dimer, Molecular Cluster, Molecular Dynamics, Supercritical Fluid, Water",

author = "Taku Ohara and Toshio Amara",

year = "1994",

doi = "10.1299/kikaib.60.496",

language = "English",

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AU - Ohara, Taku

AU - Amara, Toshio

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AB - 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.

KW - Critical Point

KW - Dimer

KW - Molecular Cluster

KW - Molecular Dynamics

KW - Supercritical Fluid

KW - Water

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ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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