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Molecular Dynamics of Associative Polymers and Its Experimental Validation: Effect of Dissociation Equilibrium on Entanglement Relaxation Modes

Research Project

Project/Area Number 21H01986
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 35010:Polymer chemistry-related
Research InstitutionKyoto University

Principal Investigator

Matsumiya Yumi  京都大学, 化学研究所, 准教授 (00378853)

Co-Investigator(Kenkyū-buntansha) 渡辺 宏  京都大学, 化学研究所, 教授 (90167164)
Project Period (FY) 2021-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥15,340,000 (Direct Cost: ¥11,800,000、Indirect Cost: ¥3,540,000)
Fiscal Year 2023: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2022: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2021: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Keywords会合性高分子 / レオロジー / ダイナミクス / 誘電緩和 / 粘弾性
Outline of Research at the Start

本研究は, 会合性高分子のダイナミクスを記述する一般理論の構築と, その実験的検証を目的とする. 会合性高分子では, 高分子鎖自身の熱運動と会合/解離過程の競合が, 粘弾性緩和をはじめとする全ての動的過程を支配する. 解離平衡状態にある会合性高分子系において, ある特定の条件下において, 会合/解離鎖の緩和モードに強いカップリングが生じ, 特異な粘弾性緩和挙動が観察される. この詳細を明らかにするために, 誘電活性な会合性モデル高分子の絡み合い系のダイナミクスの理論解析を行う. さらに, モデル高分子を合成し, その粘弾性・誘電緩和データを用いて理論解析結果を検証する.

Outline of Final Research Achievements

1) Viscoelasticity and dielectric relaxation of star-shaped multiaggregates mediated by metal ions were investigated. Theoretical analysis showed that the results are a consequence of the mutual transfer of conformation and kinetic correlations; 2) Investigation of non-linear stress relaxation in linear chain ionomers with sodium carboxylate (COONa) and sodium sulphonate end groups, suggesting that the rapid structural recovery behavior of COONa ionomers after large deformation is due to its structural heterogeneity. 3) Analysis of star-shaped chains with aggregation groups at the end of branch chains to investigate the effect of strain-induced aggregation breakdown and reforming on stress relaxation. It was suggested that the system is time-strain separable at moderate strains and that the system probably yields at large strains. The results of this analysis are in good agreement with preliminary experimental results for transient gels of end-aggregating star-shaped chains.

Academic Significance and Societal Importance of the Research Achievements

星型多量会合体の粘弾性緩和と誘電緩和の挙動の違いを理論的、実験的に解明することで、より複雑な高分子系の動的特性の理解の進展につながった。これにより、高分子物理学の分野で理論の改良/確立が期待される。会合系網目の力学挙動解析は、分子レベルでの相互作用とその結果として生じるマクロな材料特性の理解を深める。特に非線形応力緩和挙動の解析は、材料の破壊/再生メカニズムに関する研究の基盤ともなる。この知見は、より複雑な高分子ネットワークの力学挙動の理解に寄与し、新規高機能性材料の設計の指針ともなる。

Report

(4 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • Research Products

    (23 results)

All 2024 2023 2022 2021 Other

All Int'l Joint Research (4 results) Journal Article (11 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 11 results,  Open Access: 5 results) Presentation (6 results) (of which Int'l Joint Research: 3 results,  Invited: 2 results) Book (2 results)

  • [Int'l Joint Research] 中国科学院, 長春応用化学研究所(中国)

    • Related Report
      2023 Annual Research Report
  • [Int'l Joint Research] 中国科学院, 長春応用化学研究所(中国)

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] 成均館大学校(韓国)

    • Related Report
      2021 Annual Research Report
  • [Int'l Joint Research] Suranaree University of Technology(タイ)

    • Related Report
      2021 Annual Research Report
  • [Journal Article] Nonlinear Stress Relaxation of End-Associative Star Chain. 1. Behavior Under Single-Step Strain2024

    • Author(s)
      ZHANG; J. TANG; Q. CHEN; Y. KWON; Y. MATSUMIYA; H. WATANABE
    • Journal Title

      Nihon Reoroji Gakkaishi (J. Soc. Rheol. Jpn.)

      Volume: 52 Pages: 123-141

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Nonlinear Stress Relaxation of End-Associative Star Chain. 2. Behavior Under Double-Step Strain2024

    • Author(s)
      ZHANG; J. TANG; Q. CHEN; Y. KWON; Y. MATSUMIYA; H. WATANABE
    • Journal Title

      Nihon Reoroji Gakkaishi (J. Soc. Rheol. Jpn.)

      Volume: 52 Pages: 143-160

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Rouse Analysis of Nonlinear Rheology of Unentangled Polymer Melts under Fast Shear: Viscoelastic Response to Superposed Oscillatory Strain2023

    • Author(s)
      Matsumiya Yumi、Sato Takeshi、Chen Quan、Watanabe Hiroshi
    • Journal Title

      Macromolecules

      Volume: - Issue: 8 Pages: 2930-2938

    • DOI

      10.1021/acs.macromol.3c00005

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Rheo-Dielectric Behavior of Unentangled Poly(butylene oxide) under Steady Shear: Preliminary Evaluation of Non-Equilibrium Parameters at the Onset of Nonlinearity2022

    • Author(s)
      Matsumiya Yumi、Sato Takeshi、Chen Quan、Watanabe Hiroshi
    • Journal Title

      Nihon Reoroji Gakkaishi

      Volume: 50 Issue: 5 Pages: 371-385

    • DOI

      10.1678/rheology.50.371

    • ISSN
      0387-1533, 2186-4586
    • Year and Date
      2022-12-15
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Rheo-Dielectrics and Diffusion of Type-A Rouse Chain under Fast Shear Flow: Method of Evaluation of Non-Equilibrium Parameters for FENE, Friction-Reduction, and Brownian Force Intensity Variation2022

    • Author(s)
      T. Sato, Y. Matsumiya, and H. Watanabe
    • Journal Title

      Nihon Reoroji Gakkaishi

      Volume: 50 Issue: 2 Pages: 253-268

    • DOI

      10.1678/rheology.50.253

    • ISSN
      0387-1533, 2186-4586
    • Year and Date
      2022-04-15
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Experimental study of phase separation in dynamically asymmetric unentangled polymer blend2022

    • Author(s)
      Sato Takeshi、Matsumiya Yumi、Watanabe Hiroshi
    • Journal Title

      The Journal of Chemical Physics

      Volume: 157 Issue: 22 Pages: 224908-224908

    • DOI

      10.1063/5.0124087

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Viscoelastic and Dielectric Behavior of Polyisoprene Monofunctionally Head-Modified with Associative Metal-Carboxylate Group2021

    • Author(s)
      Matsumiya Yumi、Watanabe Hiroshi、Sukhonthamethirat Natchamon、Vao-soongnern Visit
    • Journal Title

      Nihon Reoroji Gakkaishi

      Volume: 49 Issue: 3 Pages: 189-197

    • DOI

      10.1678/rheology.49.189

    • NAID

      130008065166

    • ISSN
      0387-1533, 2186-4586
    • Year and Date
      2021-06-15
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Revisiting Nonlinear Flow Behavior of Rouse Chain: Roles of FENE, Friction-Reduction, and Brownian Force Intensity Variation2021

    • Author(s)
      H. Watanabe, Y. Matsumiya, and T. Sato
    • Journal Title

      Macromolecules

      Volume: 54 Issue: 8 Pages: 3700-3715

    • DOI

      10.1021/acs.macromol.1c00013

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Constitutive Equation for Rouse Model Modified for Variations of Spring Stiffness, Bead Friction, and Brownian Force Intensity Under Flow2021

    • Author(s)
      T. Sato, Y. Kwon, Y. Matsumiya, and H. Watanabe
    • Journal Title

      Physics of Fluids

      Volume: 33 Issue: 6 Pages: 063106-063106

    • DOI

      10.1063/5.0055559

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Non-Universal Feature in Uniaxially Extensional Rheology of Linear Polymer Melts and Concentrated Solutions: A Review2021

    • Author(s)
      Y. Matsumiya and H. Watanabe
    • Journal Title

      Prog. Polym. Sci.

      Volume: 112 Pages: 101325-101325

    • DOI

      10.1016/j.progpolymsci.2020.101325

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 誘電緩和法による高分子系ダイナミクスの研究2021

    • Author(s)
      松宮由実
    • Journal Title

      接着の技術誌

      Volume: 41 Pages: 20-25

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Presentation] non universal features in polymer dynamics2024

    • Author(s)
      Yumi Matsumiya
    • Organizer
      The 6th seminar of the JNNFM+JoR+RA seminar series
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Rheo-dielectric Behavior of Unentangled Poly(butylene oxide) under Steady Shear: Non-equilibrium Parameters at the Onset of Nonlinearity2023

    • Author(s)
      Yumi Matsumiya; Takeshi Sato; Quan Chen; Hiroshi Watanabe
    • Organizer
      8th Pacific Rim Conference on Rheology 2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Rheo-dielectric Behavior of Unentangled Poly(butylene oxide) under Steady Shear: Non-equilibrium Parameters at the Onset of Nonlinearity2023

    • Author(s)
      Yumi Matsumiya; Takeshi Sato; Quan Chen; Hiroshi Watanabe
    • Organizer
      19th International Congress on Rheology
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 束縛解放時間の非普遍性 -化学構造依存性-2023

    • Author(s)
      松宮由実; 渡辺宏
    • Organizer
      第71回レオロジー討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 非絡み合いポリブチレンオキシドの流動誘電緩和挙動2022

    • Author(s)
      松宮由実, 佐藤 健, 渡辺 宏
    • Organizer
      第70回レオロジー討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 高分子のレオロジー2022

    • Author(s)
      松宮由実
    • Organizer
      レオロジーイブニングセミナー2022 年度 ~こんな時代だからオンラインでつながろう~
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Book] 食品分散系の制御技術と応用2024

    • Author(s)
      松宮由実
    • Total Pages
      311
    • Publisher
      シーエムシー出版
    • ISBN
      9784781317977
    • Related Report
      2023 Annual Research Report
  • [Book] Recent Advances in Rheology2022

    • Author(s)
      H. Watanabe; O. Hassager; Y. Matsumiya; Q. Huang
    • Total Pages
      360
    • Publisher
      AIP Publishing
    • ISBN
      9780735424692
    • Related Report
      2022 Annual Research Report

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Published: 2021-04-28   Modified: 2025-01-30  

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