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Development of Dynamic Self-Consistent Field Theory on Macroscopic Viscoelastic Properties of Polymer Systems

Research Project

Project/Area Number 16340120
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Biophysics/Chemical physics
Research InstitutionTohoku University

Principal Investigator

KAWAKATSU Toshihiro  Tohoku University, Graduate School of Science, Professor, 大学院理学研究科, 教授 (20214596)

Project Period (FY) 2004 – 2006
Project Status Completed (Fiscal Year 2006)
Budget Amount *help
¥12,000,000 (Direct Cost: ¥12,000,000)
Fiscal Year 2006: ¥3,700,000 (Direct Cost: ¥3,700,000)
Fiscal Year 2005: ¥4,200,000 (Direct Cost: ¥4,200,000)
Fiscal Year 2004: ¥4,100,000 (Direct Cost: ¥4,100,000)
Keywordsdense polymeric system- / viscoelastic property / dynamic self-consistent field theory / path integral / reptation / mesophase / inhomogeneous systems / structural phase transition / 自己無撞着場理論 / 動力学 / 相転移 / レプテーション / ジャイロイド / ブロック共重合体 / 粘弾性 / 高分子 / 相分離 / 協同現象 / 流動 / 自己組織化
Research Abstract

1.Structural Phase Transitions between Mesophases of Block Copolymers :
We studied the dynamics of the structural phase transition from a gyroid structure to a cylindrical structure induced by an external shear flow using dynamic self-consistent field technique. By adopting a modeling in the real space and a system size adjustment technique, we succeeded in reproducing the nucleation and growth process associated with the first order phase transition, and phase coexistence. We also found the so-called epitaxial condition between the initial and the final periodic structures, where the transition pathway is different from the previous predictions based on the experimental data.
2.Dynamics of Mesophase Formation of Block Copolymers under Hydrodynamic Interactions :
We developed a simulation technique of dynamic self-consistent field theory that explicitly takes the hydrodynamic interactions into account. Using this technique, we simulated dynamics of the phase separation under the influence of the hydrodynamic interaction. We found an acceleration of the phase separation and a realization of the final equilibrium state only when the hydrodynamic interaction is present.
3.Simulation of Viscoelastic Properties Using Self-Consistent Field Theory :
We developed a technique to simulate the viscoelastic properties of polymeric systems by combining a hydrodynamic flow equation and a stress field calculated with the self-consistent field theory. We confirmed that our procedure to calculate the stress field is essentially identical to the most recent reptation theory for homogeneous systems.
4.Other than the above-listed works, we studied some other topics, such as cluster formations in gels, controlling phase separation structures of block copolymers, spatially ordered structures in dense colloidal suspension, and so on.

Report

(4 results)
  • 2006 Annual Research Report   Final Research Report Summary
  • 2005 Annual Research Report
  • 2004 Annual Research Report
  • Research Products

    (26 results)

All 2007 2006 2005 2004 Other

All Journal Article (25 results) Book (1 results)

  • [Journal Article] Computer Simulations of Nano-Scale Phenomena Based on the Dynamic Density Functional Theories - Aplications of SUSHI in the OCTA Syatem2007

    • Author(s)
      Takashi Honda, Toshihiro Kawakatsu
    • Journal Title

      Nanostructured Soft Matter (A.V.Zvelindovsky, ed.) (印刷中)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Computer Simulations of Nano-Scale Phenomena Based on the Dynamic Density Functional Theories-Aplications of SUSHI in the OCTA Syatem-2007

    • Author(s)
      T.Honda, T.Kawakatsu
    • Journal Title

      Nanostructured Soft Matter(A.V.Zvelindovsky, ed.)(Springer-Verlag) (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Epitaxial Transition from Gyroid to Cylinder in a Diblock Copolymer Melt2006

    • Author(s)
      T.Honda, T.Kawakatsu
    • Journal Title

      Macromolecules 39・6

      Pages: 2340-2349

    • NAID

      110004829185

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Computer Simulation of Raction-Iduced Slf-Asembly of Cllulose via Ezymatic Plymerization2006

    • Author(s)
      T.Kawakatsu, H.Tanaka, S.Koizumi, T.Hashimoto
    • Journal Title

      J. Phys. : Condens. Matter 18・36

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] 高分子濃厚系の平均場近似に基づく粗視化モデルとシミュレーション2006

    • Author(s)
      川勝年洋
    • Journal Title

      アンサンブル 8・2

      Pages: 3-5

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Annual Research Report 2006 Final Research Report Summary
  • [Journal Article] Epitaxial Transition from Gyroid to Cylinder in a Diblock Copolymer Melt2006

    • Author(s)
      T.Honda, T.Kawakatsu
    • Journal Title

      Macromolecules 39 (No.6)

      Pages: 2340-2349

    • NAID

      110004829185

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Computer Simulation of Raction-Iduced Slf-Asembly of Cllulose via Ezymatic Plymerization2006

    • Author(s)
      T.Kawakatsu, H.Tanaka, S.Koizumi, T.Hashimoto
    • Journal Title

      J.Phys. : Condens.Matter 18 (No.36)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Coarse-Grained Models and Simulations on Dense Polymeric Systems Based on the Mean Field Approximation (in Japanese)2006

    • Author(s)
      T.Kawakatsu
    • Journal Title

      Ensemble 8 (No. 2)

      Pages: 3-5

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Computer simulation of reaction-induced self-assembly of cellulose via enzymatic polymerization2006

    • Author(s)
      T.Kawakatsu, H.Tanaka, S.Koizumi, T.Hashimoto
    • Journal Title

      J. Phys. : Condens. Matter 18・36

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Epitaxial Transition from Gyroid to Cylinder in a Diblock Copolymer Melt2006

    • Author(s)
      Takashi Honda, Toshihiro Kawakatsu
    • Journal Title

      Macromolecules 39・6

      Pages: 2340-2349

    • NAID

      110004829185

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Polymer-Confinement-Induced Nematic Transition of Microemulsion Droplet2005

    • Author(s)
      K.Nakaya, M.Imai, S.Komura, T.Kawakatsu, N.Urakami
    • Journal Title

      Europhys.Lett. 71・3

      Pages: 494-500

    • NAID

      130004589455

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Monte Carlo Simulations of String-Like Colloidal Assembly2005

    • Author(s)
      Y.Norizoe, T.Kawakatsu
    • Journal Title

      Europhys. Lett. 72・4

      Pages: 583-589

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] 高分子界面とドメイン構造の粗視化モデルを用いたアプローチ2005

    • Author(s)
      川勝年洋
    • Journal Title

      オレオサイエンス 5・4

      Pages: 167-173

    • NAID

      130004853471

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Polymer-Confinement-Induced Nematic Transition of Microemulsion Droplet2005

    • Author(s)
      K.Nakaya, M.Imai, S.Komura, T.Kawakatsu, N.Urakami
    • Journal Title

      Europhys.Lett. 71 (No.3)

      Pages: 494-500

    • NAID

      130004589455

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Monte Carlo Simulations of String-Like Colloidal Assembly2005

    • Author(s)
      Y.Norizoe, T.Kawakatsu
    • Journal Title

      Europhys.Lett. 72 (No.4)

      Pages: 583-589

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] A Study on Polymeric Interfaces and Domain Structures Using Coarse-Grained Models (in Japanesey)2005

    • Author(s)
      T.Kawakatsu
    • Journal Title

      Oleo Science 5 (No.4)

      Pages: 167-173

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Polymer-Confinement-Induced Nematic Transition of Microemulsion Droplet2005

    • Author(s)
      Kaori Nakaya, Masayuki Imai, Shigeyuki Komura, Toshihiro Kawakatsu, Naoto Urakami
    • Journal Title

      Europhys.Lett 71・3

      Pages: 494-500

    • NAID

      130004589455

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Phase Separated Structures in a Binary Blend of Diblock Copolymers under an Extensional Force Field - Helical Domain Structure -2004

    • Author(s)
      H.Morita, T.Kawakatsu, M.Doi, D.Yamaguchi, M.Takenaka, T.Hashimoto
    • Journal Title

      J. Phys. Soc. Jpn. 73・5

      Pages: 1371-1374

    • NAID

      110001954857

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Adaptive Shape reconfiguration of a Decentralized Motile System Exploiting Molecular Dynamics and Stokesian Dynamics Methods2004

    • Author(s)
      M.Shimizu, A.Ishiguro, M.Takahashi, T.Kawakatsu, Y.Masubuchi, M.Doi
    • Journal Title

      J. Robotics Mechatronics 16・3

      Pages: 271-277

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Dynamical Self-Consistent Field Theory for Inhomogeneous Polymer Systems2004

    • Author(s)
      T.Kawakatsu
    • Journal Title

      AIP Conference Proceedings 708

      Pages: 265-266

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary 2004 Annual Research Report
  • [Journal Article] Phase Separated Structures in a Binary Blend of Diblock Copolymers under an Extensional Force Field Helical Domain Structure-2004

    • Author(s)
      H.Morita, T.Kawakatsu, M.Doi, D.Yamaguchi, M.Takenaka, T.Hashimoto
    • Journal Title

      J.Phys.Soc.Jpn. 73 (No.5)

      Pages: 1371-1374

    • NAID

      110001954857

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Adaptive Shape reconfiguration of a Decentralized Motile System Exploiting Molecular Dynamics and Stolesian Dynamics Methods2004

    • Author(s)
      M.Shimizu, A.Ishiguro, M.Takahashi, T.Kawakatsu, Y.Masubuchi, M.Doi
    • Journal Title

      J.Robotics Mechatronics 16 (No.3)

      Pages: 271-277

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Phase Separated Structures in a Binary Blend of Diblock Copolymers under an Extensional Force Field - Helical Domain Structure -2004

    • Author(s)
      H.Morita, T.Kawakatsu, M.Doi, D.Yamaguchi, M.Takenaka, T.Hashimoto
    • Journal Title

      J.Phys.Soc.Jpn. 73・5

      Pages: 1371-1374

    • NAID

      110001954857

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Adaptive Shape reconfiguration of a Decentralized Motile System Exploiting Molecular Dynamics and Stokesian Dynamics Methods2004

    • Author(s)
      M.Shimizu, A.Ishiguro, M.Takahashi, T.Kawakatsu, Y.Masubuchi, M.Doi
    • Journal Title

      J.Robotics Mechatronics 16・3

      Pages: 271-277

    • Related Report
      2004 Annual Research Report
  • [Journal Article] 高分子界面とドメイン構造の粗視化モデルを用いたアプローチ

    • Author(s)
      川勝年洋
    • Journal Title

      オレオサイエンス (印刷中)

    • NAID

      130004853471

    • Related Report
      2004 Annual Research Report
  • [Book] Nanostructured Soft Matter(A.V.Zvelindovsky, ed.)2007

    • Author(s)
      Takashi Honda, Toshihiro Kawaktsu
    • Total Pages
      35
    • Publisher
      Springer Verlag
    • Related Report
      2006 Annual Research Report

URL: 

Published: 2004-04-01   Modified: 2016-04-21  

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