Quantifying the solid-fluid interfacial tensions depending on the substrate curvature: Young's equation holds for wetting around nanoscale cylinder

Watanabe, Keitaro; Kusudo, Hiroki; Bistafa, Carlos; Omori, Takeshi; Yamaguchi, Yasutaka

doi:https://doi.org/10.1063/5.0079816

Quantifying the solid-fluid interfacial tensions depending on the substrate curvature: Young's equation holds for wetting around nanoscale cylinder

Watanabe, Keitaro; Kusudo, Hiroki; Bistafa, Carlos et al.

Journal of Chemical Physics, 2022, 156(5), 054701

Number of Access:517（2026-02-18 05:41 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/97803

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Title	Quantifying the solid-fluid interfacial tensions depending on the substrate curvature: Young's equation holds for wetting around nanoscale cylinder
Creator	CreatorName Watanabe, Keitaro
	CreatorName Kusudo, Hiroki
	CreatorName Bistafa, Carlos
	NRID 1000070467546 1000070467546 CreatorName Omori, Takeshi
	NRID 1000030346192 1000030346192 ORCID 0000-0002-8000-8437 0000-0002-8000-8437 researchmap permalink yasutaka_yamaguchi yasutaka_yamaguchi Scopus Author ID 15849815900 15849815900 CreatorName Yamaguchi, Yasutaka
Description	Watanabe K., Kusudo H., Bistafa C., et al. Journal of Chemical Physics 156(5), 054701 (2022); licensed under a Creative Commons Attribution (CC BY) license.
Abstract	By extending the theoretical framework derived in our previous study [Imaizumi et al., J. Chem. Phys. 153, 034701 (2020)], we successfully calculated the solid-liquid (SL) and solid-vapor (SV) interfacial tensions of a simple Lennard-Jones fluid around solid cylinders with nanometer-scale diameters from single equilibrium molecular dynamics systems in which a solid cylinder was vertically immersed into a liquid pool. The SL and SV interfacial tensions γSL - γS0 and γSV - γS0 relative to that for bare solid surface γS0, respectively, were obtained by simple force balance relations on fluid-containing control volumes set around the bottom and top ends of the solid cylinder, which are subject to the fluid stress and the force from the solid. The theoretical contact angle calculated by Young's equation using these interfacial tensions agreed well with the apparent contact angle estimated by the analytical solution to fit the meniscus shape, showing that Young's equation holds even for the menisci around solids with nanoscale curvature. We have also found that the curvature effect on the contact angle was surprisingly small while it was indeed large on the local forces exerted on the solid cylinder near the contact line. In addition, the present results showed that the curvature dependence of the SL and SV interfacial free energies, which are the interfacial tensions, is different from that of the corresponding interfacial potential energies.
Publisher	American Institute of Physics Inc.
Source Title	Journal of Chemical Physics
Volume (Issue)	156(5)
Page	054701
Date of Issued	2022-02-07
Language	English
Handle URL	https://hdl.handle.net/11094/97803
PISSN	00219606
eISSN	10897690
Relation.isIdenticalTo	DOI (Publisher Version) https://doi.org/10.1063/5.0079816
Access Rights	open access
CopyRight	Copyright 2022 Author(s). This article is distributed under a Creative Commons Attribution (CC BY) License.
oaire:version	Version of Record
Category	学術雑誌論文 Journal Article

Resource Type	journal article
Local Type	Journal Article
DCTERMS.bibliographicCitation	Journal of Chemical Physics. 2022, 156(5), p. 054701
DC.title	Quantifying the solid-fluid interfacial tensions depending on the substrate curvature: Young's equation holds for wetting around nanoscale cylinder
DC.creator	Watanabe, Keitaro
	Kusudo, Hiroki
	Bistafa, Carlos
	Omori, Takeshi
	Yamaguchi, Yasutaka
DC.publisher	American Institute of Physics Inc.
DC.language' scheme='DCTERMS.RFC1766	English
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2022-02-07
DC.identifier	https://doi.org/10.1063/5.0079816
DC.description	Watanabe K., Kusudo H., Bistafa C., et al. Journal of Chemical Physics 156(5), 054701 (2022); licensed under a Creative Commons Attribution (CC BY) license.
DCTERMS.abstract	By extending the theoretical framework derived in our previous study [Imaizumi et al., J. Chem. Phys. 153, 034701 (2020)], we successfully calculated the solid-liquid (SL) and solid-vapor (SV) interfacial tensions of a simple Lennard-Jones fluid around solid cylinders with nanometer-scale diameters from single equilibrium molecular dynamics systems in which a solid cylinder was vertically immersed into a liquid pool. The SL and SV interfacial tensions γSL - γS0 and γSV - γS0 relative to that for bare solid surface γS0, respectively, were obtained by simple force balance relations on fluid-containing control volumes set around the bottom and top ends of the solid cylinder, which are subject to the fluid stress and the force from the solid. The theoretical contact angle calculated by Young's equation using these interfacial tensions agreed well with the apparent contact angle estimated by the analytical solution to fit the meniscus shape, showing that Young's equation holds even for the menisci around solids with nanoscale curvature. We have also found that the curvature effect on the contact angle was surprisingly small while it was indeed large on the local forces exerted on the solid cylinder near the contact line. In addition, the present results showed that the curvature dependence of the SL and SV interfacial free energies, which are the interfacial tensions, is different from that of the corresponding interfacial potential energies.
DC.rights	Copyright 2022 Author(s). This article is distributed under a Creative Commons Attribution (CC BY) License.
DC.format	97803
citation_title	Quantifying the solid-fluid interfacial tensions depending on the substrate curvature: Young's equation holds for wetting around nanoscale cylinder
citation_author	Watanabe, Keitaro
	Kusudo, Hiroki
	Bistafa, Carlos
	Omori, Takeshi
	Yamaguchi, Yasutaka
citation_publisher	American Institute of Physics Inc.
citation_language	English
citation_date	2022-02-07
citation_journal_title	Journal of Chemical Physics
citation_volume	156
citation_issue	5
citation_firstpage	054701
citation_doi	https://doi.org/10.1063/5.0079816
citation_public_url	https://hdl.handle.net/11094/97803

Quantifying the solid-fluid interfacial tensions depending on the substrate curvature: Young's equation holds for wetting around nanoscale cylinder

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