Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor

• YAGUCHI Hisao

  Division of Mechanical and Space Engineering, Hokkaido University

• YANO Takeru

  Department of Mechanical Engineering, Osaka University

• FUJIKAWA Shigeo

  Division of Mechanical and Space Engineering, Hokkaido University

抄録

Molecular dynamics (MD) study of equilibrium system of a single argon nanodroplet and its surrounding argon vapor is carried out to address a fundamental issue whether the thermodynamic description is applicable to the nanoscale inhomogeneous system. The numerical result is sufficiently reliable so that it can identify the smallest droplet standing stably over 200 ns. The validity of the Laplace equation for nanodroplet is proved by a purely mechanical argument on the basis of directly computed normal and tangential pressures in the transition layer. Furthermore, it is demonstrated that the chemical potentials of liquid and vapor phases are not equal when a droplet is so small that the number of molecules consisting the transition layer may be comparable to that in the droplet. The Kelvin equation does not hold in such a case.

収録刊行物

• Journal of Fluid Science and Technology

  Journal of Fluid Science and Technology 5 (2), 180-191, 2010

  一般社団法人 日本機械学会

キーワード

• Molecular Dynamics
• Nanodroplet
• Surface Tension
• Kelvin Equation
• Laplace Equation

詳細情報

• CRID: 1390282680223946368
• NII論文ID: 130000254420
• DOI: 10.1299/jfst.5.180
• ISSN: 18805558
• Web Site: http://www.jstage.jst.go.jp/article/jfst/5/2/5_2_180/_pdf
• 本文言語コード: en
• データソース種別:
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• 抄録ライセンスフラグ: 使用不可