Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor
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...
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| Format: | Article |
| Language: | English |
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The Japan Society of Mechanical Engineers
2010-03-01
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| Series: | Journal of Fluid Science and Technology |
| Subjects: | |
| Online Access: | https://www.jstage.jst.go.jp/article/jfst/5/2/5_2_180/_pdf/-char/en |
| _version_ | 1818942459441315840 |
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| author | Hisao YAGUCHI Takeru YANO Shigeo FUJIKAWA |
| author_facet | Hisao YAGUCHI Takeru YANO Shigeo FUJIKAWA |
| author_sort | Hisao YAGUCHI |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-20T07:11:46Z |
| format | Article |
| id | doaj.art-9c295bb5f1d84434be429fd9ccf2eb45 |
| institution | Directory Open Access Journal |
| issn | 1880-5558 |
| language | English |
| last_indexed | 2024-12-20T07:11:46Z |
| publishDate | 2010-03-01 |
| publisher | The Japan Society of Mechanical Engineers |
| record_format | Article |
| series | Journal of Fluid Science and Technology |
| spelling | doaj.art-9c295bb5f1d84434be429fd9ccf2eb452022-12-21T19:48:53ZengThe Japan Society of Mechanical EngineersJournal of Fluid Science and Technology1880-55582010-03-015218019110.1299/jfst.5.180jfstMolecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its VaporHisao YAGUCHI0Takeru YANO1Shigeo FUJIKAWA2Division of Mechanical and Space Engineering, Hokkaido UniversityDepartment of Mechanical Engineering, Osaka UniversityDivision of Mechanical and Space Engineering, Hokkaido UniversityMolecular 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.https://www.jstage.jst.go.jp/article/jfst/5/2/5_2_180/_pdf/-char/enmolecular dynamicsnanodropletsurface tensionkelvin equationlaplace equation |
| spellingShingle | Hisao YAGUCHI Takeru YANO Shigeo FUJIKAWA Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor Journal of Fluid Science and Technology molecular dynamics nanodroplet surface tension kelvin equation laplace equation |
| title | Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor |
| title_full | Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor |
| title_fullStr | Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor |
| title_full_unstemmed | Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor |
| title_short | Molecular Dynamics Study of Vapor-Liquid Equilibrium State of an Argon Nanodroplet and Its Vapor |
| title_sort | molecular dynamics study of vapor liquid equilibrium state of an argon nanodroplet and its vapor |
| topic | molecular dynamics nanodroplet surface tension kelvin equation laplace equation |
| url | https://www.jstage.jst.go.jp/article/jfst/5/2/5_2_180/_pdf/-char/en |
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