Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water: A molecular dynamics study

Toru Kawaguchi; Gota Kikugawa; Ikuya Kinefuchi; Shinichi Yatsuzuka; Taku Ohara; Yoichiro Matsumoto

doi:10.1299/kikaic.76.1936

Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water: A molecular dynamics study

Toru Kawaguchi, Gota Kikugawa, Ikuya Kinefuchi, Shinichi Yatsuzuka, Taku Ohara, Yoichiro Matsumoto

Nanoscale Flow Research Division

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

Abstract

The influence of 11 -mercapoundecanol (-S(CH₂) ₁₁OH) self-assembled monolayer (SAM) on the interfacial thermal resistance at the interface of Au(111) and water was investigated using nonequilibrium molecular dynamics simulation. As a result, the interfacial thermal resistance at the interface of Au-SAM-water was found to be higher than that at the interface of Au-water. In addition, the local interfacial thermal resistance at the interface of SAM and water was found to be very small. We analyzed the hydrogen bond at the interface of SAM and water and found that the most of hydrogen bond provided by the SAM molecules are connected to water molecules, and that they would effectively contribute to the small local interfacial thermal resistance at the interface of SAM and water.

Original language	English
Pages (from-to)	1936-1938
Number of pages	3
Journal	Nihon Kikai Gakkai Ronbunshu, C Hen/Transactions of the Japan Society of Mechanical Engineers, Part C
Volume	76
Issue number	768
DOIs	https://doi.org/10.1299/kikaic.76.1936
Publication status	Published - 2010 Aug

Keywords

Heat transfer enhancement
Hydrogen bond
Interfacial thermal resistance
Molecular dynamics
Nanotechnology
Self-Assembled monolayer

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Industrial and Manufacturing Engineering

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Kawaguchi, T., Kikugawa, G., Kinefuchi, I., Yatsuzuka, S., Ohara, T., & Matsumoto, Y. (2010). Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water: A molecular dynamics study. Nihon Kikai Gakkai Ronbunshu, C Hen/Transactions of the Japan Society of Mechanical Engineers, Part C, 76(768), 1936-1938. https://doi.org/10.1299/kikaic.76.1936

Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water : A molecular dynamics study. / Kawaguchi, Toru; Kikugawa, Gota; Kinefuchi, Ikuya; Yatsuzuka, Shinichi; Ohara, Taku; Matsumoto, Yoichiro.

In: Nihon Kikai Gakkai Ronbunshu, C Hen/Transactions of the Japan Society of Mechanical Engineers, Part C, Vol. 76, No. 768, 08.2010, p. 1936-1938.

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

Kawaguchi, T, Kikugawa, G, Kinefuchi, I, Yatsuzuka, S, Ohara, T & Matsumoto, Y 2010, 'Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water: A molecular dynamics study', Nihon Kikai Gakkai Ronbunshu, C Hen/Transactions of the Japan Society of Mechanical Engineers, Part C, vol. 76, no. 768, pp. 1936-1938. https://doi.org/10.1299/kikaic.76.1936

Kawaguchi, Toru ; Kikugawa, Gota ; Kinefuchi, Ikuya ; Yatsuzuka, Shinichi ; Ohara, Taku ; Matsumoto, Yoichiro. / Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water : A molecular dynamics study. In: Nihon Kikai Gakkai Ronbunshu, C Hen/Transactions of the Japan Society of Mechanical Engineers, Part C. 2010 ; Vol. 76, No. 768. pp. 1936-1938.

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title = "Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water: A molecular dynamics study",

abstract = "The influence of 11 -mercapoundecanol (-S(CH2) 11OH) self-assembled monolayer (SAM) on the interfacial thermal resistance at the interface of Au(111) and water was investigated using nonequilibrium molecular dynamics simulation. As a result, the interfacial thermal resistance at the interface of Au-SAM-water was found to be higher than that at the interface of Au-water. In addition, the local interfacial thermal resistance at the interface of SAM and water was found to be very small. We analyzed the hydrogen bond at the interface of SAM and water and found that the most of hydrogen bond provided by the SAM molecules are connected to water molecules, and that they would effectively contribute to the small local interfacial thermal resistance at the interface of SAM and water.",

keywords = "Heat transfer enhancement, Hydrogen bond, Interfacial thermal resistance, Molecular dynamics, Nanotechnology, Self-Assembled monolayer",

author = "Toru Kawaguchi and Gota Kikugawa and Ikuya Kinefuchi and Shinichi Yatsuzuka and Taku Ohara and Yoichiro Matsumoto",

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AU - Matsumoto, Yoichiro

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AB - The influence of 11 -mercapoundecanol (-S(CH2) 11OH) self-assembled monolayer (SAM) on the interfacial thermal resistance at the interface of Au(111) and water was investigated using nonequilibrium molecular dynamics simulation. As a result, the interfacial thermal resistance at the interface of Au-SAM-water was found to be higher than that at the interface of Au-water. In addition, the local interfacial thermal resistance at the interface of SAM and water was found to be very small. We analyzed the hydrogen bond at the interface of SAM and water and found that the most of hydrogen bond provided by the SAM molecules are connected to water molecules, and that they would effectively contribute to the small local interfacial thermal resistance at the interface of SAM and water.

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KW - Molecular dynamics

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Interfacial thermal resistance of hydrophilically-terminated self-assembled monolayer and water: A molecular dynamics study

Abstract

Keywords

ASJC Scopus subject areas

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