Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study

Surblys, D.; Yamaguchi, Y.; Kuroda, K.; Nakajima, T.; Fujimura, H.

doi:https://doi.org/10.1063/1.3601055

Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study

Surblys, D.; Yamaguchi, Y.; Kuroda, K. et al.

The Journal of Chemical Physics, 2011, 135(1), 014703

アクセス数:498件（2025-09-17 07:12 集計）

固定URL: https://hdl.handle.net/11094/82375

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タイトル	Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study
著者	NRID 1000020812663 1000020812663 著者名 Surblys, D.
	NRID 1000030346192 1000030346192 ORCID 0000-0002-8000-8437 0000-0002-8000-8437 researchmap permalink yasutaka_yamaguchi yasutaka_yamaguchi Scopus Author ID 15849815900 15849815900 著者名 Yamaguchi, Y.
	著者名 Kuroda, K.
	著者名 Nakajima, T.
	著者名 Fujimura, H.
内容	D. Surblys, Y. Yamaguchi, K. Kuroda, T. Nakajima, and H. Fujimura, "Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study", The Journal of Chemical Physics 135, 014703 (2011) https://doi.org/10.1063/1.3601055.
抄録	Molecular dynamics simulations of single water droplets on a solid surface were carried out in order to investigate the effects that the Coulomb interaction between liquid and solid molecules has on wetting behavior by appending vertical electric polarization on a solid surface. The water droplet became more wettable both on upward and downward polarized surfaces, although structures of the adsorption layer appearing near the solid surface were clearly different, and the relation between droplet contact angle and surface polarization was also different for upward and downward polarization directions. The probability density distribution of molecular orientation around the adsorption layer indicated that preferable water molecule orientations varied largely by the surface polarization, and the rotational mobility around the preferable orientations was also affected. The dynamic property due to this rotational mobility was clearly captured by means of distribution of rotational diffusion coefficient, which potentially corresponded to local viscosity distribution.
出版者	American Institute of Physics
収録物名	The Journal of Chemical Physics
巻(号)	135(1)
ページ	014703
刊行年月	2011-07-07
言語	英語
ハンドルURL	https://hdl.handle.net/11094/82375
PISSN	00219606
NCID	AA00694991
関連情報 (isIdenticalTo)	DOI (出版社版) https://doi.org/10.1063/1.3601055
アクセス権	open access
権利情報	This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in The Journal of Chemical Physics 135, 014703 (2011) and may be found at https://doi.org/10.1063/1.3601055.
出版タイプ	Version of Record
カテゴリ	学術雑誌論文 Journal Article

資源タイプ	学術雑誌論文
ローカル資源タイプ	学術雑誌論文
DCMI資源タイプ	text
DCTERMS.bibliographicCitation	The Journal of Chemical Physics. 2011, 135(1), p. 014703
DC.title	Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study
DC.creator	Surblys, D.
	Yamaguchi, Y.
	Kuroda, K.
	Nakajima, T.
	Fujimura, H.
DC.publisher	American Institute of Physics
DC.language' scheme='DCTERMS.RFC1766	英語
DC.type' scheme='DCTERMS.DCMIType	text
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2011-07-07
DC.identifier	https://doi.org/10.1063/1.3601055
DC.description	D. Surblys, Y. Yamaguchi, K. Kuroda, T. Nakajima, and H. Fujimura, "Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study", The Journal of Chemical Physics 135, 014703 (2011) https://doi.org/10.1063/1.3601055.
DCTERMS.abstract	Molecular dynamics simulations of single water droplets on a solid surface were carried out in order to investigate the effects that the Coulomb interaction between liquid and solid molecules has on wetting behavior by appending vertical electric polarization on a solid surface. The water droplet became more wettable both on upward and downward polarized surfaces, although structures of the adsorption layer appearing near the solid surface were clearly different, and the relation between droplet contact angle and surface polarization was also different for upward and downward polarization directions. The probability density distribution of molecular orientation around the adsorption layer indicated that preferable water molecule orientations varied largely by the surface polarization, and the rotational mobility around the preferable orientations was also affected. The dynamic property due to this rotational mobility was clearly captured by means of distribution of rotational diffusion coefficient, which potentially corresponded to local viscosity distribution.
DC.rights	This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in The Journal of Chemical Physics 135, 014703 (2011) and may be found at https://doi.org/10.1063/1.3601055.
DC.format	82375
citation_title	Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study
citation_author	Surblys, D.
	Yamaguchi, Y.
	Kuroda, K.
	Nakajima, T.
	Fujimura, H.
citation_publisher	American Institute of Physics
citation_language	英語
citation_date	2011-07-07
citation_journal_title	The Journal of Chemical Physics
citation_volume	135
citation_issue	1
citation_firstpage	014703
citation_doi	https://doi.org/10.1063/1.3601055
citation_public_url	https://hdl.handle.net/11094/82375

Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study

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