2021 Fiscal Year Final Research Report
Molecular-Scale Mechanism on Interface Affinity Realized on Organic Surface Materials
Project/Area Number |
19K04209
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Multi-year Fund |
Section | 一般 |
Review Section |
Basic Section 19020:Thermal engineering-related
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Research Institution | Tohoku University |
Principal Investigator |
KIKUGAWA Gota 東北大学, 流体科学研究所, 准教授 (90435644)
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Project Period (FY) |
2019-04-01 – 2022-03-31
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Keywords | 熱工学 / ナノスケール伝熱 / 自己組織化単分子膜 / 計算物理 / 分子熱流体 / 分子動力学 / 界面親和性 / 界面輸送特性 |
Outline of Final Research Achievements |
In this study, we aim at establishing a methodology for quantitative evaluation of interfacial affinity on the self-assembled monolayer (SAM), which represent a soft characteristic. We also clarify the mechanism of interfacial affinity originating from the molecular-scale structure and chemical properties. In particular, we analyze the droplet contact state on a microscopic scale using molecular dynamics simulations; not only the contact angle, which is a commonly used manifestation of affinity, but also detailed interfacial interaction energy and a stress tensor field on the control surface are investigated.
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Free Research Field |
分子熱流体工学
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Academic Significance and Societal Importance of the Research Achievements |
分子シミュレーションを用いたソフトな有機分子膜と液体間に発現する界面親和性を定量評価する研究はこれまで報告例がほとんどなく,その新しい方法論の開発や本研究成果から得られる新たな知見は学術的にも産業分野にも幅広い波及効果が見込まれる.特に本研究の基礎的知見は,界面親和性の制御を実現する技術に繋がる.すなわち,有機材料によるボトムアップ手法を用いた表面修飾,表面処理技術に直結し,表面への多機能性の付与やコスト低減などのメリットが大きく,大きな産業需要が期待される.
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