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Elucidation of molecular mechanism of high performance gel with high strength and high ductility

Research Project

Project/Area Number 16K05914
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Polymer/Textile materials
Research InstitutionKyoto University

Principal Investigator

Koga Tsuyoshi  京都大学, 工学研究科, 教授 (80303866)

Project Period (FY) 2016-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2018: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2017: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywordsゲル / 高強度 / 高延性 / 環動ゲル / テトラPEGゲル / ダブルネットワークゲル / 組み替え網目理論 / 分子動力学シミュレーション / シミュレーション / ナノコンポジットゲル / 理論 / 力学物性 / 高延伸性 / テトラPEGゲル / 犠牲結合 / 溶媒透過性 / 計算機シミュレーション
Outline of Final Research Achievements

In this study, we used a transient network theory and molecular dynamics simulations to study the molecular mechanism that has produced the characteristic properties of high-performance gels exhibiting high strength and high ductility.
(1) The characteristic mechanical behavior and solvent permeability of slide-ring gels were reproduced by molecular dynamics simulations, and the molecular mechanism was elucidated. (2) We studied the structure and mechanical properties of tetra-PEG gel, and elucidated the molecular mechanism of the correlation between network structure and mechanical property. (3) Molecular dynamics simulation was used to create a double network in which a rigid polymer network and a flexible polymer network were interpenetrated, and the molecular mechanism of enhancing performance by sacrificial bonding was elucidated.

Academic Significance and Societal Importance of the Research Achievements

ゲルのネットワーク構造と弾性の関係についての研究は,高分子研究の黎明期からの歴史があり,多くの理論的アイデアが提案されてきたが,絡み合いや架橋点のゆらぎの効果などを理論的に精密に考慮するのは困難であった.本研究ではネットワーク構造と弾性に関する多くの知見が得られ,その基礎的な理解が大きく前進したので,その学術的意義は大きいと考えられる.
また,高分子ゲルの高性能化は様々な手法を用いて試行錯誤的に行われてきたが,本研究により高性能化の分子機構が解明されたので,これを基礎として新規高性能ゲルを分子レベルから設計する設計指針の構築が可能となると考えられるので,大きな社会的意義がある.

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (51 results)

All 2018 2017 2016

All Journal Article (9 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 9 results,  Acknowledgement Compliant: 2 results) Presentation (41 results) (of which Int'l Joint Research: 13 results,  Invited: 1 results) Book (1 results)

  • [Journal Article] Molecular simulation of structure formation and rheological properties of mixtures of telechelic and monofunctional associating polymer2018

    • Author(s)
      Furuya Tsutomu、Koga Tsuyoshi
    • Journal Title

      Journal of Polymer Science Part B: Polymer Physics

      Volume: 56 Issue: 18 Pages: 1251-1264

    • DOI

      10.1002/polb.24716

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular simulation of structures and mechanical properties of nanocomposite networks consisting of disk-shaped particles and polymers2018

    • Author(s)
      Furuya Tsutomu、Koga Tsuyoshi
    • Journal Title

      Soft Matter

      Volume: 14 Issue: 41 Pages: 8293-8305

    • DOI

      10.1039/c8sm01437j

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effects of Added Physical Cross-Linkers on Mechanical Properties of Polymer Networks2018

    • Author(s)
      Furuya Tsutomu、Yamamoto Keita、Koga Tsuyoshi
    • Journal Title

      Macromolecular Theory and Simulations

      Volume: 28 Issue: 1 Pages: 1800042-1800042

    • DOI

      10.1002/mats.201800042

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Analysis of Critical Flowable Physical Gel Cross-Linked by Metal Ions and Polyacrylamide-Derivative Associating Polymers Containing Imidazole Groups2017

    • Author(s)
      Ozaki Hiroto、Narita Tetsuharu、Koga Tsuyoshi、Indei Tsutomu
    • Journal Title

      Polymers

      Volume: 9 Issue: 7 Pages: 256-256

    • DOI

      10.3390/polym9070256

    • NAID

      120006492002

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Physical gelation of supramolecular hydrogels cross-linked by metal-ligand interactions: Dynamic light scattering and microrheological studies2017

    • Author(s)
      Ozaki Hiroto、Indei Tsutomu、Koga Tsuyoshi、Narita Tetsuharu
    • Journal Title

      Polymer

      Volume: 128 Pages: 363-372

    • DOI

      10.1016/j.polymer.2017.01.077

    • Related Report
      2017 Research-status Report 2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Theoretical study of inclusion complex formation of cyclodextrin and single polymer chain2017

    • Author(s)
      Furuya Tsutomu、Koga Tsuyoshi
    • Journal Title

      Polymer

      Volume: 131 Pages: 193-201

    • DOI

      10.1016/j.polymer.2017.10.031

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Network Formation and Mechanical Properties of Telechelic Associating Polymers with Fixed Junction Multiplicity2017

    • Author(s)
      Hiroto Ozaki, Tsuyoshi Koga
    • Journal Title

      Macromolecular Theory and Simulations

      Volume: 26 Issue: 2

    • DOI

      10.1002/mats.201600076

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Statistical Thermodynamic Theory of Heat-Induced Gelation of Aqueous Methylated Polyrotaxane Solutions2016

    • Author(s)
      Hiroyuki Kojima and Tsuyoshi Koga
    • Journal Title

      Macromolecules

      Volume: 49 Issue: 18 Pages: 7015-7024

    • DOI

      10.1021/acs.macromol.6b01644

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical Study of Network Formation and Mechanical Properties of Physical Gels with a Well-Defined Junction Structure2016

    • Author(s)
      Ozaki H, Koga T
    • Journal Title

      J Phys Chem B

      Volume: 120 Issue: 31 Pages: 7745-7753

    • DOI

      10.1021/acs.jpcb.6b05183

    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Presentation] ナノ粒子/高分子混合ゲルの力学特性に関する理論研究2018

    • Author(s)
      古谷勉,山本啓太,古賀毅
    • Organizer
      第67回高分子学会年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 会合性高分子のゲル化の分子シミュレーションII:分子内・分子間会合の競合2018

    • Author(s)
      柴田基樹,古谷勉,古賀毅
    • Organizer
      第67回高分子学会年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 末端官能性四分岐ポリマーからなる物理架橋ゲルの構造制御2018

    • Author(s)
      上羽航暉,古賀毅
    • Organizer
      第67回高分子学会年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] エラストマーの緩和に関する分子シミュレーションダングリング鎖の影響2018

    • Author(s)
      釣本輝希,古賀毅
    • Organizer
      第67回高分子学会年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] かご型シルセスキオキサンを主鎖に有するポリマーの凝集構造の分子シミュレーション2018

    • Author(s)
      中川友憲,中建介,古賀毅
    • Organizer
      第67回高分子学会年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] ラジカル重合によって得られるネットワークの構造と力学物性に関する分子シミュレーション2018

    • Author(s)
      古谷勉,古賀毅
    • Organizer
      第67回高分子討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 粗視化花型ミセルモデルを用いた会合性高分子のゲル化とレオロジーに関する計算機シミュレーション2018

    • Author(s)
      中村花子,古賀毅
    • Organizer
      第67回高分子討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 分子シミュレーションによるダブルネットワークゲルの高靱性の分子機構2018

    • Author(s)
      平岩竜一,古賀毅
    • Organizer
      第67回高分子討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 会合性高分子の構造形成とダイナミクス:粗視化フラワーミセルモデル2018

    • Author(s)
      古賀毅,中村花子
    • Organizer
      第66回レオロジー討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 粗視化花型ミセルモデルを用いた会合性高分子のゲル化とレオロジーに関する計算機シミュレーション2018

    • Author(s)
      中村花子,古賀毅
    • Organizer
      第66回レオロジー討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 分子シミュレーションによるダブルネットワークゲルの高靭性の分子機構2018

    • Author(s)
      平岩竜一,古賀毅
    • Organizer
      第66回レオロジー討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Computational study of structure and rheological properties of physical gels consisting with associating polymer and surfactant2017

    • Author(s)
      Tsutomu Furuya and Tsuyoshi Koga
    • Organizer
      11th International Gel Symposium
    • Place of Presentation
      日本大学津田沼キャンパス(千葉県習志野市)
    • Year and Date
      2017-03-07
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular simulation of structure and mechanical properties of gels formed by end-linking of tetra-arm polymers2017

    • Author(s)
      Hiroki Tanaka, Tsutomu Furuya, and Tsuyoshi Koga
    • Organizer
      11th International Gel Symposium
    • Place of Presentation
      日本大学津田沼キャンパス(千葉県習志野市)
    • Year and Date
      2017-03-07
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Fracture behavior of polymer networks with sliding junctions2017

    • Author(s)
      Takuya Kurimoto, Tsutomu Furuya, and Tsuyoshi Koga
    • Organizer
      11th International Gel Symposium
    • Place of Presentation
      日本大学津田沼キャンパス(千葉県習志野市)
    • Year and Date
      2017-03-07
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular simulation of polymer gels: Frictional behaviors of transient networks2017

    • Author(s)
      Shinjiro Hayashi, Tsutomu Furuya, and Tsuyoshi Koga
    • Organizer
      11th International Gel Symposium
    • Place of Presentation
      日本大学津田沼キャンパス(千葉県習志野市)
    • Year and Date
      2017-03-07
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular simulation of mechanical properties of networks consisting of polymers associating with colloids2017

    • Author(s)
      Keita Yamamoto, Tsutomu Furuya, and Tsuyoshi Koga
    • Organizer
      11th International Gel Symposium
    • Place of Presentation
      日本大学津田沼キャンパス(千葉県習志野市)
    • Year and Date
      2017-03-07
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular simulation of polymer gels: Effects of hydrophobic subchains on elastic properties2017

    • Author(s)
      Natsuki Hosoe, Tsutomu Furuya, and Tsuyoshi Koga
    • Organizer
      11th International Gel Symposium
    • Place of Presentation
      日本大学津田沼キャンパス(千葉県習志野市)
    • Year and Date
      2017-03-07
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular simulation of polymer gels: Effects of polymerization processes on structure and mechanical properties of networks2017

    • Author(s)
      Kenta Osanai, Tsutomu Furuya and Tsuyoshi Koga
    • Organizer
      11th International Gel Symposium
    • Place of Presentation
      日本大学津田沼キャンパス(千葉県習志野市)
    • Year and Date
      2017-03-07
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] シクロデキストリンと高分子一本鎖の包摂錯体形成機構に関する理論研究2017

    • Author(s)
      古谷勉,古賀毅
    • Organizer
      第66回高分子学会年次大会
    • Related Report
      2017 Research-status Report
  • [Presentation] 会合基の配列制御による高分子ミセル形成の分子機構2017

    • Author(s)
      中村花子,古谷勉,古賀毅
    • Organizer
      第66回高分子学会年次大会
    • Related Report
      2017 Research-status Report
  • [Presentation] 高分子のらせん形成に関する分子シミュレーション2017

    • Author(s)
      教海宏輔,古谷勉,古賀毅
    • Organizer
      第66回高分子学会年次大会
    • Related Report
      2017 Research-status Report
  • [Presentation] Statistical Thermodynamic Theory of Heat-Induced Gelation of Aqueous Methylated Polyrotaxane Solutions2017

    • Author(s)
      Hiroyuki KOJIMA, Tsuyoshi KOGA
    • Organizer
      IUMRS-ICAM 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Computational Study of Structure and Rheological Properties of Physical Gels Consisting with Associating Polymer and Surfactant2017

    • Author(s)
      Tsutomu FURUYA, Tsuyoshi KOGA
    • Organizer
      IUMRS-ICAM 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular Simulation of Polymer Gels: Frictional Behaviors of Transient Network2017

    • Author(s)
      Shinjiro HAYASHI, Tsutomu FURUYA, Tsuyoshi KOGA
    • Organizer
      IUMRS-ICAM 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular Simulation of Mechanical Properties of Networks Consisting of Polymers Associating with Colloids2017

    • Author(s)
      Keita YAMAMOTO, Tsutomu FURUYA, Tsuyoshi KOGA
    • Organizer
      IUMRS-ICAM 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 高分子ゲルの構造と物性に重合法が及ぼす影響に関する分子シミュレーション2017

    • Author(s)
      小山内健太,古谷勉,古賀毅
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] 可動架橋点を持つ高分子ネットワークの破壊挙動2017

    • Author(s)
      栗本拓弥,古谷勉,古賀毅
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] 会合性高分子から成る物理ゲルの摩擦に関する分子シミュレーション2017

    • Author(s)
      林慎二朗,古谷勉,古賀毅
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] 両親媒性ゲルの力学物性の分子シミュレーション2017

    • Author(s)
      細江夏樹,古谷勉,古賀毅
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] コロイドと会合する高分子から成るネットワークの力学物性に関する分子シミュレーション2017

    • Author(s)
      山本啓太,古谷勉,古賀毅
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] Molecular simulation of structure and mechanical properties of gels formed by end-linking of tetra-arm polymers2016

    • Author(s)
      Hiroki Tanaka and Tsuyoshi Koga
    • Organizer
      The 11th SPSJ International Polymer Conference
    • Place of Presentation
      福岡国際会議場(福岡県福岡市)
    • Year and Date
      2016-12-13
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Computer Simulation of Dynamics of Phase Ordering of Hydrogen-bonding Supramolecular Block Copolymers2016

    • Author(s)
      Ryo Arimura and Tsuyoshi Koga
    • Organizer
      The 11th SPSJ International Polymer Conference
    • Place of Presentation
      福岡国際会議場(福岡県福岡市)
    • Year and Date
      2016-12-13
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 会合性高分子から成るネットワークの力学物性に関する分子シミュレーションⅡ2016

    • Author(s)
      山本 啓太,古賀 毅
    • Organizer
      第65回高分子討論会
    • Place of Presentation
      神奈川大学横浜キャンパス(神奈川県横浜市)
    • Year and Date
      2016-09-14
    • Related Report
      2016 Research-status Report
  • [Presentation] 構造が制御された架橋点をもつ物理ゲルのレオロジーに関 する理論的研究2016

    • Author(s)
      尾﨑 弘人,古賀 毅
    • Organizer
      第65回高分子討論会
    • Place of Presentation
      神奈川大学横浜キャンパス(神奈川県横浜市)
    • Year and Date
      2016-09-14
    • Related Report
      2016 Research-status Report
  • [Presentation] 会合性高分子の理論・分子シミュレーション2016

    • Author(s)
      古賀 毅
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場(兵庫県神戸市)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Research-status Report
    • Invited
  • [Presentation] メチル化ポリロタキサン水溶液の熱誘起ゲル化の統計熱力学理論2016

    • Author(s)
      小島 広之,古賀 毅
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場(兵庫県神戸市)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Research-status Report
  • [Presentation] 高分子ゲルの分子シミュレーション:重合法がネットワークの構造と力学物性に与える影響2016

    • Author(s)
      小山内 健太,古賀 毅
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場(兵庫県神戸市)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Research-status Report
  • [Presentation] 高分子ゲルの分子シミュレーション:疎水性効果が力学物性に及ぼす影響2016

    • Author(s)
      細江 夏樹,古賀 毅
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場(兵庫県神戸市)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Research-status Report
  • [Presentation] 会合性高分子から成るネットワークの力学物性に関する分子シミュレーション2016

    • Author(s)
      山本 啓太,古賀 毅
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場(兵庫県神戸市)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Research-status Report
  • [Presentation] 架橋点の官能数がネットワークの弾性に及ぼす効果に関する分子シミュレーション2016

    • Author(s)
      林 慎二朗,古賀 毅
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場(兵庫県神戸市)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Research-status Report
  • [Presentation] 分岐ブロック共重合体のミクロ相分離構造の計算機シミュレーション2016

    • Author(s)
      栗本 拓弥,古賀 毅
    • Organizer
      第65回高分子学会年次大会
    • Place of Presentation
      神戸国際会議場(兵庫県神戸市)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Research-status Report
  • [Book] ゲル化・増粘剤の使い方、選び方 事例集2018

    • Author(s)
      古賀毅,古谷勉,他90名
    • Total Pages
      691
    • Publisher
      技術情報協会
    • Related Report
      2017 Research-status Report

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Published: 2016-04-21   Modified: 2020-03-30  

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