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Molecular Mechanism of Tom's Effect by Self-Assembly of Surfactant Molecules

Research Project

Project/Area Number 17K14610
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Thermal engineering
Research InstitutionKeio University (2019)
Kindai University (2017-2018)

Principal Investigator

Arai Noriyoshi  慶應義塾大学, 理工学部(矢上), 准教授 (80548363)

Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2019: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Keywords界面活性剤 / ミセル / 自己集合 / 抵抗低減 / 分子シミュレーション / 界面活性剤水溶液 / 固液界面 / 並列化 / マイクロ・ナノデバイス / 化学工学 / 制限領域
Outline of Final Research Achievements

To investigate the molecular mechanism of the Toms effect, coarse-grained molecular simulations were performed to reproduce the behavior of surfactant aqueous solutions in a tube flow. When the hydrophilic wall of the tube, shear thinning is observed regardless of the concentration of the surfactants, whereas in the hydrophobic tube, Newtonian fluid-like behavior and shear thickening are observed. The tube diameter was extended to reproduce the behavior of the surfactant solution in the turbulent and laminar-to-turbulence transition regions. A shear-induced structure, in which rod-like micelles clustered near the center of the tube, was observed, suggesting that the change in the structure affected the drag reduction.

Academic Significance and Societal Importance of the Research Achievements

界面活性剤水溶液の粘度と自己集合構造の関係性を分子スケールで明らかにした.また円管内壁の化学的性質を変えることで,界面活性剤が形成する集合構造が変化し,結果として粘度の制御が可能であることを示した.抵抗低減効果は流れの状態(層流,乱流,遷移領域)に大きく依存したため,集合構造の振る舞いが関与している可能性がある.また水溶液内で特殊な自己集合構造を形成する物質として,Janus粒子系についても粒子デザインやアスペクト比,濃度をパラメータとして,自己集合構造と粘性挙動の関係を調べた.その結果,様々な自己集合構造が形成されたものの,粘度については集合体の平均会合数のみで見積もれることを明らかにした.

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (31 results)

All 2020 2019 2018 2017

All Journal Article (14 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 14 results,  Open Access: 2 results) Presentation (16 results) (of which Int'l Joint Research: 7 results,  Invited: 4 results) Book (1 results)

  • [Journal Article] A biointerface effect on the self-assembly of ribonucleic acids: a possible mechanism of RNA polymerisation in the self-replication cycle2020

    • Author(s)
      Arai Noriyoshi、Kobayashi Yusei、Yasuoka Kenji
    • Journal Title

      Nanoscale

      Volume: 12 Issue: 12 Pages: 6691-6698

    • DOI

      10.1039/c9nr09537c

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Polymorphic transitions mediated by surfactants in liquid crystal nanodroplet2019

    • Author(s)
      Tsujinoue Hiroaki、Inokuchi Takuya、Arai Noriyoshi
    • Journal Title

      Liquid Crystals

      Volume: 46 Issue: 9 Pages: 1428-1439

    • DOI

      10.1080/02678292.2019.1573326

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Predominant Factor Determining Thermal Conductivity Behavior of Nanofluid: Effect of Cluster Structures with Various Nanoparticles2019

    • Author(s)
      Kobayashi Yusei、Arai Noriyoshi
    • Journal Title

      Journal of The Electrochemical Society

      Volume: 166 Issue: 9 Pages: B3223-B3227

    • DOI

      10.1149/2.0341909jes

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Replica exchange dissipative particle dynamics method on threadlike micellar aqueous solutions2019

    • Author(s)
      Kobayashi Yusei、Nomura Kentaro、Kaneko Toshihiro、Arai Noriyoshi
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 32 Issue: 11 Pages: 115901-115901

    • DOI

      10.1088/1361-648x/ab579c

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Programmed self-assembly of tetrapod nanoparticles with an amphiphilic surface pattern: the effect of arm length and hydrophobic ratio2019

    • Author(s)
      Araki Yusuke、Kobayashi Yusei、Arai Noriyoshi
    • Journal Title

      Molecular Systems Design & Engineering

      Volume: 4 Issue: 6 Pages: 1095-1102

    • DOI

      10.1039/c9me00112c

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Predicting molecular ordering in a binary liquid crystal using machine learning2019

    • Author(s)
      Inokuchi Takuya、Okamoto Ryosuke、Arai Noriyoshi
    • Journal Title

      Liquid Crystals

      Volume: 47 Issue: 3 Pages: 438-448

    • DOI

      10.1080/02678292.2019.1656293

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Polymodal rheological behaviors induced by self-assembly of surfactants confined in nanotubes2019

    • Author(s)
      Kobayashi Yusei、Arai Noriyoshi
    • Journal Title

      Journal of Molecular Liquids

      Volume: 274 Pages: 328-337

    • DOI

      10.1016/j.molliq.2018.10.141

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Self-assembly of peptide amphiphiles by vapor pressure osmometry and dissipative particle dynamics2018

    • Author(s)
      Seki Taiga、Arai Noriyoshi、Suh Donguk、Ozawa Taku、Shimada Tomoko、Yasuoka Kenji、Hotta Atsushi
    • Journal Title

      RSC Advances

      Volume: 8 Issue: 47 Pages: 26461-26468

    • DOI

      10.1039/c8ra04692a

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Multiscale prediction of functional self-assembled materials using machine learning: high-performance surfactant molecules2018

    • Author(s)
      Inokuchi Takuya、Li Na、Morohoshi Kei、Arai Noriyoshi
    • Journal Title

      Nanoscale

      Volume: 10 Issue: 34 Pages: 16013-16021

    • DOI

      10.1039/c8nr03332c

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Self-assembly of surfactant aqueous solution confined in a Janus amphiphilic nanotube2017

    • Author(s)
      Kobayashi Yusei、Arai Noriyoshi
    • Journal Title

      Molecular Simulation

      Volume: 43 Issue: 13-16 Pages: 1153-1159

    • DOI

      10.1080/08927022.2017.1319060

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Liquid-crystal ordering mediated by self-assembly of surfactant solution confined in nanodroplet: a dissipative particle dynamics study2017

    • Author(s)
      Inokuchi Takuya、Arai Noriyoshi
    • Journal Title

      Molecular Simulation

      Volume: 43 Issue: 13-16 Pages: 1218-1226

    • DOI

      10.1080/08927022.2017.1356459

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Theory of nanobubble formation and induced force in nanochannels2017

    • Author(s)
      Arai Noriyoshi、Koishi Takahiro、Ebisuzaki Toshikazu
    • Journal Title

      Physical Review E

      Volume: 96 Issue: 4 Pages: 042802-042802

    • DOI

      10.1103/physreve.96.042802

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Understanding a molecular motor walking along a microtubule: an asymmetric Brownian motor driven by bubble formation with a focus on binding affinity2017

    • Author(s)
      Hojo Masakazu、Arai Noriyoshi、Ebisuzaki Toshikazu
    • Journal Title

      Molecular Simulation

      Volume: 44 Issue: 7 Pages: 523-529

    • DOI

      10.1080/08927022.2017.1393812

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Dissipative particle dynamics simulation of the relaxation behaviour of a triblock copolymer supramolecular network2017

    • Author(s)
      Wakimoto Kohei、Sasaki Hiroshi、Arai Noriyoshi
    • Journal Title

      Molecular Simulation

      Volume: 44 Issue: 7 Pages: 534-539

    • DOI

      10.1080/08927022.2017.1403027

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Presentation] Dissipative particle dynamics simulation for viscosity behavior induced by self-assembly of surfactants confined in nanotubes2019

    • Author(s)
      Yusei Kobayashi, Noriyoshi Arai
    • Organizer
      DPG Spring Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子シミュレーションとAIを利用したソフトマター材料の物性予測2019

    • Author(s)
      荒井規允
    • Organizer
      技術情報協会 計測インフォマティクスのデータ解析とその事例
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 分子シミュレーションとAIを利用したソフトマター材料の物性予測~効果的な材料開発へ向けて~2019

    • Author(s)
      荒井規允
    • Organizer
      技術情報協会 マテリアルズ・インフォマティクスにおけるAI、機械学習の活用事例と材料開発への応用
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] ソフトマター材料のための分子シミュレーションと機械学習を組み合わせた物性予測2019

    • Author(s)
      荒井規允
    • Organizer
      新化学技術推進協会 ライフサイエンス技術部会 材料分科会 講演会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Dissipative particle dynamics simulation for viscosity behaviors and Self-assembly of surfactants aqueous solution under pipe flow2019

    • Author(s)
      Yusei Kobayashi, Noriyoshi Arai
    • Organizer
      The 5th International Conference on Molecular Simulation
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 散逸粒子動力学法を用いた管内流れにおける界面活性剤分子の自己集合構造と粘性挙動2019

    • Author(s)
      五明寛貴, 小林祐生, 荒井規允
    • Organizer
      第33回分子シミュレーション討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Combination of Machine Learning and Coarse-Grained Molecular Simulation for High-Performance Surfactant Materials2019

    • Author(s)
      Noriyoshi Arai
    • Organizer
      The 2nd Pacific Rim Thermal Engineering Conference
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 粗視化分子シミュレーションを用いた円管内における界面活性剤水溶液の自己集合と粘性挙動2019

    • Author(s)
      荒井規允
    • Organizer
      日本伝熱学会関西支部 第25期 第3回講演討論会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Dissipative Particle Dynamics Simulation for Self-assembly and Rheological Properties of Surfactant Aqueous Solution in Nanotubes2018

    • Author(s)
      Y Kobayashi and N. Arai
    • Organizer
      The 7th Pacific Rim Conference on Rheolog
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] 散逸粒子動力学法を用いた界面活性剤水溶液の管内流れと自己集合に関する研究2018

    • Author(s)
      小林祐生,荒井規允
    • Organizer
      日本機械学会2018年度年次大会
    • Related Report
      2018 Research-status Report
  • [Presentation] Self-Assembly and Rheological Properties of Nanofluids -A Dissipative Particle Dynamics Study-2018

    • Author(s)
      Y. Kobayashi and N. Arai
    • Organizer
      International Conference "Dynamics of Systems on the Nanoscale"
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] 散逸粒子動力学法を用いたナノチューブ内における界面活性剤水溶液の管内流れ下の振る舞い ~壁面の化学的性質による自己集合・粘性挙動の違い~2018

    • Author(s)
      小林祐生,荒井規允
    • Organizer
      J-OCTAユーザー会議2018
    • Related Report
      2018 Research-status Report
  • [Presentation] 散逸粒子動力学法を用いたナノチューブ内における界面活性剤分子の自己集合構造と粘性挙動2018

    • Author(s)
      小副川譲二,小林祐生,荒井規允
    • Organizer
      第32回分子シミュレーション討論会
    • Related Report
      2018 Research-status Report
  • [Presentation] Dissipative particle dynamics simulation for self-assembly and rheological properties of nanofluids2018

    • Author(s)
      Y. Kobayashi and N. Arai
    • Organizer
      6th International Conference on Multifunctional, Hybrid and Nanomaterials
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Self-Assembly and Viscosity Behavior of Surfactant Aqueous Solution Confined in a Janus and Uniform Nanotubes2017

    • Author(s)
      Y. Kobayashi and N. Arai
    • Organizer
      The 9th JSME-KSME Thermal and Fluids Engineering Conference
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 粗視化分子シミュレーションを用いたナノチューブ内における界面活性剤水溶液の自己集合と粘性挙動2017

    • Author(s)
      小林祐生,荒井規允
    • Organizer
      日本機械学会2017年度年次大会
    • Related Report
      2017 Research-status Report
  • [Book] 界面活性剤の選び方、使い方 事例集2019

    • Author(s)
      技術情報協会編集, 堀内照夫ら計69名執筆
    • Total Pages
      586
    • Publisher
      技術情報協会
    • ISBN
      4861047536
    • Related Report
      2019 Annual Research Report

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Published: 2017-04-28   Modified: 2021-02-19  

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